USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= 0 X(o=-2.1,f=-2.2) USER MOD Set 1.2: A 76 THR OG1 : rot 0:sc= -2.09! USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 0.145 (180deg=0.0123) USER MOD Single : A 29 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.6) USER MOD Single : A 31 SER OG : rot -36:sc= 1.02 USER MOD Single : A 35 HIS : no HD1:sc= -0.989 X(o=-0.99,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -162:sc= -0.0595 (180deg=-0.454) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 53:sc= -2.41! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 0.00479 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 80:sc= 0.668 USER MOD Single : A 52 CYS SG : rot 84:sc= -2.2! USER MOD Single : A 53 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.4!) USER MOD Single : A 55 GLN : amide:sc= -0.763 X(o=-0.76,f=-1.1) USER MOD Single : A 59 MET CE :methyl 162:sc= -3.73! (180deg=-4.42!) USER MOD Single : A 60 ASN : amide:sc= -4.27! C(o=-4.3!,f=-8.8!) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -2.13! K(o=-2.1!,f=-0.051) USER MOD Single : A 75 HIS : no HD1:sc= -9.15! C(o=-9.1!,f=-6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -144:sc= -7.55! (180deg=-11.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 94 GLN : amide:sc=-0.00556 X(o=-0.0056,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B2706 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.2!) USER MOD Single : B2716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B2717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 17.096 0.532 -3.884 1.00 0.96 N ATOM 2 CA GLU A 20 16.828 0.672 -2.429 1.00 0.70 C ATOM 3 C GLU A 20 15.335 0.808 -2.153 1.00 0.59 C ATOM 4 O GLU A 20 14.718 -0.091 -1.581 1.00 0.67 O ATOM 5 CB GLU A 20 17.573 1.885 -1.865 1.00 1.25 C ATOM 6 CG GLU A 20 19.048 1.624 -1.607 1.00 1.46 C ATOM 7 CD GLU A 20 19.272 0.520 -0.591 1.00 1.47 C ATOM 8 OE1 GLU A 20 19.134 0.791 0.621 1.00 2.00 O ATOM 9 OE2 GLU A 20 19.585 -0.615 -1.007 1.00 1.24 O ATOM 0 HA GLU A 20 17.187 -0.231 -1.936 1.00 0.70 H new ATOM 0 HB2 GLU A 20 17.476 2.717 -2.562 1.00 1.25 H new ATOM 0 HB3 GLU A 20 17.098 2.192 -0.933 1.00 1.25 H new ATOM 0 HG2 GLU A 20 19.536 1.356 -2.544 1.00 1.46 H new ATOM 0 HG3 GLU A 20 19.520 2.541 -1.253 1.00 1.46 H new ATOM 16 N TYR A 21 14.758 1.934 -2.564 1.00 0.54 N ATOM 17 CA TYR A 21 13.338 2.187 -2.349 1.00 0.47 C ATOM 18 C TYR A 21 12.553 2.112 -3.654 1.00 0.46 C ATOM 19 O TYR A 21 12.988 2.627 -4.686 1.00 0.54 O ATOM 20 CB TYR A 21 13.134 3.557 -1.696 1.00 0.47 C ATOM 21 CG TYR A 21 13.628 3.630 -0.268 1.00 0.51 C ATOM 22 CD1 TYR A 21 12.863 3.127 0.776 1.00 0.49 C ATOM 23 CD2 TYR A 21 14.859 4.200 0.034 1.00 0.68 C ATOM 24 CE1 TYR A 21 13.309 3.191 2.081 1.00 0.59 C ATOM 25 CE2 TYR A 21 15.312 4.268 1.337 1.00 0.79 C ATOM 26 CZ TYR A 21 14.533 3.762 2.357 1.00 0.72 C ATOM 27 OH TYR A 21 14.980 3.826 3.656 1.00 0.86 O ATOM 0 H TYR A 21 15.252 2.684 -3.047 1.00 0.54 H new ATOM 0 HA TYR A 21 12.962 1.411 -1.683 1.00 0.47 H new ATOM 0 HB2 TYR A 21 13.650 4.312 -2.289 1.00 0.47 H new ATOM 0 HB3 TYR A 21 12.073 3.805 -1.717 1.00 0.47 H new ATOM 0 HD1 TYR A 21 11.904 2.679 0.564 1.00 0.49 H new ATOM 0 HD2 TYR A 21 15.471 4.596 -0.763 1.00 0.68 H new ATOM 0 HE1 TYR A 21 12.702 2.796 2.882 1.00 0.59 H new ATOM 0 HE2 TYR A 21 16.271 4.715 1.556 1.00 0.79 H new ATOM 0 HH TYR A 21 15.860 4.256 3.678 1.00 0.86 H new ATOM 37 N ILE A 22 11.395 1.461 -3.596 1.00 0.45 N ATOM 38 CA ILE A 22 10.529 1.321 -4.759 1.00 0.47 C ATOM 39 C ILE A 22 9.351 2.285 -4.660 1.00 0.46 C ATOM 40 O ILE A 22 8.867 2.576 -3.564 1.00 0.50 O ATOM 41 CB ILE A 22 9.998 -0.125 -4.909 1.00 0.55 C ATOM 42 CG1 ILE A 22 9.315 -0.592 -3.620 1.00 0.57 C ATOM 43 CG2 ILE A 22 11.133 -1.069 -5.282 1.00 0.62 C ATOM 44 CD1 ILE A 22 8.592 -1.915 -3.760 1.00 0.68 C ATOM 0 H ILE A 22 11.034 1.020 -2.750 1.00 0.45 H new ATOM 0 HA ILE A 22 11.127 1.558 -5.639 1.00 0.47 H new ATOM 0 HB ILE A 22 9.257 -0.136 -5.708 1.00 0.55 H new ATOM 0 HG12 ILE A 22 10.064 -0.679 -2.833 1.00 0.57 H new ATOM 0 HG13 ILE A 22 8.603 0.169 -3.300 1.00 0.57 H new ATOM 0 HG21 ILE A 22 10.745 -2.082 -5.384 1.00 0.62 H new ATOM 0 HG22 ILE A 22 11.574 -0.752 -6.227 1.00 0.62 H new ATOM 0 HG23 ILE A 22 11.894 -1.049 -4.502 1.00 0.62 H new ATOM 0 HD11 ILE A 22 8.133 -2.181 -2.808 1.00 0.68 H new ATOM 0 HD12 ILE A 22 7.819 -1.828 -4.524 1.00 0.68 H new ATOM 0 HD13 ILE A 22 9.303 -2.689 -4.049 1.00 0.68 H new ATOM 56 N LYS A 23 8.898 2.785 -5.805 1.00 0.47 N ATOM 57 CA LYS A 23 7.781 3.722 -5.837 1.00 0.49 C ATOM 58 C LYS A 23 6.453 2.985 -5.983 1.00 0.42 C ATOM 59 O LYS A 23 6.124 2.481 -7.054 1.00 0.51 O ATOM 60 CB LYS A 23 7.959 4.728 -6.982 1.00 0.64 C ATOM 61 CG LYS A 23 6.862 5.782 -7.053 1.00 0.75 C ATOM 62 CD LYS A 23 7.113 6.787 -8.170 1.00 0.95 C ATOM 63 CE LYS A 23 8.287 7.701 -7.855 1.00 1.11 C ATOM 64 NZ LYS A 23 8.525 8.695 -8.940 1.00 1.37 N ATOM 0 H LYS A 23 9.286 2.558 -6.721 1.00 0.47 H new ATOM 0 HA LYS A 23 7.768 4.264 -4.891 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.922 5.227 -6.868 1.00 0.64 H new ATOM 0 HB3 LYS A 23 7.990 4.186 -7.927 1.00 0.64 H new ATOM 0 HG2 LYS A 23 5.900 5.295 -7.212 1.00 0.75 H new ATOM 0 HG3 LYS A 23 6.800 6.307 -6.100 1.00 0.75 H new ATOM 0 HD2 LYS A 23 7.307 6.254 -9.101 1.00 0.95 H new ATOM 0 HD3 LYS A 23 6.217 7.387 -8.327 1.00 0.95 H new ATOM 0 HE2 LYS A 23 8.098 8.225 -6.918 1.00 1.11 H new ATOM 0 HE3 LYS A 23 9.185 7.101 -7.709 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 9.333 9.299 -8.687 1.00 1.37 H new ATOM 0 HZ2 LYS A 23 8.731 8.196 -9.829 1.00 1.37 H new ATOM 0 HZ3 LYS A 23 7.677 9.285 -9.062 1.00 1.37 H new ATOM 78 N LEU A 24 5.699 2.914 -4.892 1.00 0.35 N ATOM 79 CA LEU A 24 4.402 2.251 -4.904 1.00 0.33 C ATOM 80 C LEU A 24 3.284 3.282 -4.833 1.00 0.33 C ATOM 81 O LEU A 24 3.051 3.893 -3.790 1.00 0.34 O ATOM 82 CB LEU A 24 4.289 1.258 -3.742 1.00 0.35 C ATOM 83 CG LEU A 24 5.111 -0.025 -3.900 1.00 0.39 C ATOM 84 CD1 LEU A 24 5.040 -0.865 -2.637 1.00 0.49 C ATOM 85 CD2 LEU A 24 4.624 -0.828 -5.097 1.00 0.42 C ATOM 0 H LEU A 24 5.964 3.307 -3.989 1.00 0.35 H new ATOM 0 HA LEU A 24 4.308 1.695 -5.837 1.00 0.33 H new ATOM 0 HB2 LEU A 24 4.599 1.759 -2.825 1.00 0.35 H new ATOM 0 HB3 LEU A 24 3.241 0.986 -3.618 1.00 0.35 H new ATOM 0 HG LEU A 24 6.151 0.255 -4.070 1.00 0.39 H new ATOM 0 HD11 LEU A 24 5.630 -1.772 -2.769 1.00 0.49 H new ATOM 0 HD12 LEU A 24 5.436 -0.294 -1.797 1.00 0.49 H new ATOM 0 HD13 LEU A 24 4.003 -1.133 -2.436 1.00 0.49 H new ATOM 0 HD21 LEU A 24 5.220 -1.736 -5.193 1.00 0.42 H new ATOM 0 HD22 LEU A 24 3.577 -1.095 -4.954 1.00 0.42 H new ATOM 0 HD23 LEU A 24 4.726 -0.230 -6.002 1.00 0.42 H new ATOM 97 N LYS A 25 2.602 3.476 -5.958 1.00 0.37 N ATOM 98 CA LYS A 25 1.514 4.441 -6.037 1.00 0.41 C ATOM 99 C LYS A 25 0.214 3.858 -5.496 1.00 0.42 C ATOM 100 O LYS A 25 -0.477 3.110 -6.188 1.00 0.46 O ATOM 101 CB LYS A 25 1.314 4.898 -7.483 1.00 0.48 C ATOM 102 CG LYS A 25 2.363 5.885 -7.964 1.00 0.50 C ATOM 103 CD LYS A 25 2.179 6.213 -9.437 1.00 0.64 C ATOM 104 CE LYS A 25 3.012 7.415 -9.850 1.00 0.67 C ATOM 105 NZ LYS A 25 2.954 7.651 -11.320 1.00 0.85 N ATOM 0 H LYS A 25 2.785 2.976 -6.828 1.00 0.37 H new ATOM 0 HA LYS A 25 1.786 5.298 -5.421 1.00 0.41 H new ATOM 0 HB2 LYS A 25 1.324 4.025 -8.135 1.00 0.48 H new ATOM 0 HB3 LYS A 25 0.329 5.355 -7.577 1.00 0.48 H new ATOM 0 HG2 LYS A 25 2.301 6.800 -7.375 1.00 0.50 H new ATOM 0 HG3 LYS A 25 3.358 5.469 -7.803 1.00 0.50 H new ATOM 0 HD2 LYS A 25 2.460 5.350 -10.041 1.00 0.64 H new ATOM 0 HD3 LYS A 25 1.126 6.413 -9.637 1.00 0.64 H new ATOM 0 HE2 LYS A 25 2.656 8.301 -9.325 1.00 0.67 H new ATOM 0 HE3 LYS A 25 4.048 7.260 -9.547 1.00 0.67 H new ATOM 0 HZ1 LYS A 25 3.133 8.656 -11.518 1.00 0.85 H new ATOM 0 HZ2 LYS A 25 3.676 7.071 -11.793 1.00 0.85 H new ATOM 0 HZ3 LYS A 25 2.012 7.391 -11.677 1.00 0.85 H new ATOM 119 N VAL A 26 -0.109 4.201 -4.253 1.00 0.42 N ATOM 120 CA VAL A 26 -1.334 3.724 -3.626 1.00 0.45 C ATOM 121 C VAL A 26 -2.458 4.732 -3.851 1.00 0.49 C ATOM 122 O VAL A 26 -2.599 5.712 -3.116 1.00 0.49 O ATOM 123 CB VAL A 26 -1.135 3.464 -2.117 1.00 0.44 C ATOM 124 CG1 VAL A 26 -2.403 2.909 -1.487 1.00 0.48 C ATOM 125 CG2 VAL A 26 0.028 2.510 -1.894 1.00 0.43 C ATOM 0 H VAL A 26 0.460 4.807 -3.662 1.00 0.42 H new ATOM 0 HA VAL A 26 -1.605 2.775 -4.089 1.00 0.45 H new ATOM 0 HB VAL A 26 -0.907 4.415 -1.636 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -2.235 2.735 -0.424 1.00 0.48 H new ATOM 0 HG12 VAL A 26 -3.215 3.624 -1.614 1.00 0.48 H new ATOM 0 HG13 VAL A 26 -2.668 1.969 -1.971 1.00 0.48 H new ATOM 0 HG21 VAL A 26 0.156 2.336 -0.826 1.00 0.43 H new ATOM 0 HG22 VAL A 26 -0.177 1.563 -2.394 1.00 0.43 H new ATOM 0 HG23 VAL A 26 0.940 2.946 -2.303 1.00 0.43 H new ATOM 135 N ILE A 27 -3.240 4.480 -4.893 1.00 0.54 N ATOM 136 CA ILE A 27 -4.343 5.345 -5.273 1.00 0.59 C ATOM 137 C ILE A 27 -5.680 4.748 -4.870 1.00 0.63 C ATOM 138 O ILE A 27 -6.048 3.663 -5.319 1.00 0.67 O ATOM 139 CB ILE A 27 -4.350 5.589 -6.785 1.00 0.65 C ATOM 140 CG1 ILE A 27 -3.137 6.433 -7.177 1.00 0.64 C ATOM 141 CG2 ILE A 27 -5.632 6.285 -7.194 1.00 0.72 C ATOM 142 CD1 ILE A 27 -3.066 6.756 -8.656 1.00 0.72 C ATOM 0 H ILE A 27 -3.125 3.667 -5.498 1.00 0.54 H new ATOM 0 HA ILE A 27 -4.200 6.290 -4.749 1.00 0.59 H new ATOM 0 HB ILE A 27 -4.296 4.631 -7.303 1.00 0.65 H new ATOM 0 HG12 ILE A 27 -3.157 7.365 -6.612 1.00 0.64 H new ATOM 0 HG13 ILE A 27 -2.229 5.904 -6.887 1.00 0.64 H new ATOM 0 HG21 ILE A 27 -5.627 6.454 -8.271 1.00 0.72 H new ATOM 0 HG22 ILE A 27 -6.485 5.661 -6.929 1.00 0.72 H new ATOM 0 HG23 ILE A 27 -5.707 7.242 -6.677 1.00 0.72 H new ATOM 0 HD11 ILE A 27 -2.179 7.357 -8.855 1.00 0.72 H new ATOM 0 HD12 ILE A 27 -3.013 5.830 -9.229 1.00 0.72 H new ATOM 0 HD13 ILE A 27 -3.955 7.314 -8.950 1.00 0.72 H new ATOM 154 N GLY A 28 -6.403 5.472 -4.020 1.00 0.64 N ATOM 155 CA GLY A 28 -7.699 5.011 -3.561 1.00 0.69 C ATOM 156 C GLY A 28 -8.800 5.244 -4.575 1.00 0.77 C ATOM 157 O GLY A 28 -8.528 5.508 -5.747 1.00 0.79 O ATOM 0 H GLY A 28 -6.112 6.373 -3.641 1.00 0.64 H new ATOM 0 HA2 GLY A 28 -7.641 3.947 -3.333 1.00 0.69 H new ATOM 0 HA3 GLY A 28 -7.953 5.522 -2.632 1.00 0.69 H new ATOM 161 N GLN A 29 -10.051 5.155 -4.129 1.00 0.82 N ATOM 162 CA GLN A 29 -11.179 5.352 -5.028 1.00 0.90 C ATOM 163 C GLN A 29 -12.001 6.576 -4.649 1.00 0.92 C ATOM 164 O GLN A 29 -13.229 6.533 -4.626 1.00 0.99 O ATOM 165 CB GLN A 29 -12.065 4.105 -5.036 1.00 0.96 C ATOM 166 CG GLN A 29 -12.672 3.835 -6.394 1.00 1.04 C ATOM 167 CD GLN A 29 -11.626 3.888 -7.493 1.00 1.02 C ATOM 168 OE1 GLN A 29 -10.746 3.028 -7.572 1.00 1.00 O ATOM 169 NE2 GLN A 29 -11.708 4.911 -8.338 1.00 1.05 N ATOM 0 H GLN A 29 -10.305 4.950 -3.162 1.00 0.82 H new ATOM 0 HA GLN A 29 -10.779 5.522 -6.028 1.00 0.90 H new ATOM 0 HB2 GLN A 29 -11.475 3.242 -4.727 1.00 0.96 H new ATOM 0 HB3 GLN A 29 -12.862 4.225 -4.303 1.00 0.96 H new ATOM 0 HG2 GLN A 29 -13.149 2.855 -6.392 1.00 1.04 H new ATOM 0 HG3 GLN A 29 -13.452 4.569 -6.597 1.00 1.04 H new ATOM 0 HE21 GLN A 29 -12.454 5.599 -8.235 1.00 1.05 H new ATOM 0 HE22 GLN A 29 -11.025 5.008 -9.090 1.00 1.05 H new ATOM 178 N ASP A 30 -11.303 7.666 -4.359 1.00 0.88 N ATOM 179 CA ASP A 30 -11.936 8.921 -3.976 1.00 0.92 C ATOM 180 C ASP A 30 -10.925 10.063 -4.033 1.00 0.89 C ATOM 181 O ASP A 30 -11.048 11.061 -3.318 1.00 0.91 O ATOM 182 CB ASP A 30 -12.541 8.801 -2.567 1.00 0.92 C ATOM 183 CG ASP A 30 -11.581 8.187 -1.561 1.00 0.86 C ATOM 184 OD1 ASP A 30 -10.412 7.933 -1.923 1.00 0.81 O ATOM 185 OD2 ASP A 30 -11.998 7.958 -0.403 1.00 0.88 O ATOM 0 H ASP A 30 -10.284 7.705 -4.383 1.00 0.88 H new ATOM 0 HA ASP A 30 -12.740 9.139 -4.679 1.00 0.92 H new ATOM 0 HB2 ASP A 30 -12.839 9.790 -2.220 1.00 0.92 H new ATOM 0 HB3 ASP A 30 -13.445 8.194 -2.616 1.00 0.92 H new ATOM 190 N SER A 31 -9.933 9.896 -4.907 1.00 0.87 N ATOM 191 CA SER A 31 -8.865 10.870 -5.118 1.00 0.86 C ATOM 192 C SER A 31 -7.860 10.922 -3.959 1.00 0.80 C ATOM 193 O SER A 31 -7.050 11.849 -3.859 1.00 0.81 O ATOM 194 CB SER A 31 -9.457 12.260 -5.370 1.00 0.93 C ATOM 195 OG SER A 31 -8.439 13.200 -5.663 1.00 0.95 O ATOM 0 H SER A 31 -9.848 9.068 -5.496 1.00 0.87 H new ATOM 0 HA SER A 31 -8.311 10.541 -5.997 1.00 0.86 H new ATOM 0 HB2 SER A 31 -10.163 12.213 -6.199 1.00 0.93 H new ATOM 0 HB3 SER A 31 -10.016 12.586 -4.493 1.00 0.93 H new ATOM 0 HG SER A 31 -7.643 12.998 -5.128 1.00 0.95 H new ATOM 201 N SER A 32 -7.921 9.916 -3.091 1.00 0.75 N ATOM 202 CA SER A 32 -7.017 9.819 -1.953 1.00 0.71 C ATOM 203 C SER A 32 -5.733 9.128 -2.393 1.00 0.65 C ATOM 204 O SER A 32 -5.696 7.905 -2.514 1.00 0.62 O ATOM 205 CB SER A 32 -7.671 9.011 -0.832 1.00 0.71 C ATOM 206 OG SER A 32 -6.752 8.751 0.214 1.00 0.69 O ATOM 0 H SER A 32 -8.593 9.152 -3.157 1.00 0.75 H new ATOM 0 HA SER A 32 -6.792 10.820 -1.585 1.00 0.71 H new ATOM 0 HB2 SER A 32 -8.529 9.557 -0.439 1.00 0.71 H new ATOM 0 HB3 SER A 32 -8.048 8.069 -1.231 1.00 0.71 H new ATOM 0 HG SER A 32 -7.196 8.234 0.919 1.00 0.69 H new ATOM 212 N GLU A 33 -4.683 9.915 -2.630 1.00 0.64 N ATOM 213 CA GLU A 33 -3.404 9.356 -3.058 1.00 0.59 C ATOM 214 C GLU A 33 -2.332 9.599 -2.001 1.00 0.55 C ATOM 215 O GLU A 33 -2.410 10.567 -1.253 1.00 0.69 O ATOM 216 CB GLU A 33 -2.971 9.970 -4.396 1.00 0.64 C ATOM 217 CG GLU A 33 -1.704 9.352 -4.972 1.00 0.56 C ATOM 218 CD GLU A 33 -1.207 10.074 -6.208 1.00 0.64 C ATOM 219 OE1 GLU A 33 -1.721 9.791 -7.310 1.00 1.12 O ATOM 220 OE2 GLU A 33 -0.299 10.921 -6.074 1.00 0.84 O ATOM 0 H GLU A 33 -4.693 10.930 -2.534 1.00 0.64 H new ATOM 0 HA GLU A 33 -3.528 8.281 -3.188 1.00 0.59 H new ATOM 0 HB2 GLU A 33 -3.781 9.856 -5.117 1.00 0.64 H new ATOM 0 HB3 GLU A 33 -2.814 11.040 -4.261 1.00 0.64 H new ATOM 0 HG2 GLU A 33 -0.923 9.362 -4.212 1.00 0.56 H new ATOM 0 HG3 GLU A 33 -1.895 8.308 -5.219 1.00 0.56 H new ATOM 227 N ILE A 34 -1.354 8.697 -1.928 1.00 0.45 N ATOM 228 CA ILE A 34 -0.249 8.818 -0.977 1.00 0.41 C ATOM 229 C ILE A 34 1.028 8.223 -1.582 1.00 0.37 C ATOM 230 O ILE A 34 0.977 7.183 -2.240 1.00 0.34 O ATOM 231 CB ILE A 34 -0.560 8.112 0.377 1.00 0.42 C ATOM 232 CG1 ILE A 34 -1.698 8.823 1.117 1.00 0.48 C ATOM 233 CG2 ILE A 34 0.681 8.059 1.261 1.00 0.49 C ATOM 234 CD1 ILE A 34 -2.003 8.243 2.483 1.00 0.57 C ATOM 0 H ILE A 34 -1.305 7.868 -2.521 1.00 0.45 H new ATOM 0 HA ILE A 34 -0.109 9.880 -0.775 1.00 0.41 H new ATOM 0 HB ILE A 34 -0.873 7.092 0.153 1.00 0.42 H new ATOM 0 HG12 ILE A 34 -1.442 9.876 1.230 1.00 0.48 H new ATOM 0 HG13 ILE A 34 -2.599 8.778 0.505 1.00 0.48 H new ATOM 0 HG21 ILE A 34 0.438 7.562 2.200 1.00 0.49 H new ATOM 0 HG22 ILE A 34 1.468 7.505 0.750 1.00 0.49 H new ATOM 0 HG23 ILE A 34 1.025 9.073 1.466 1.00 0.49 H new ATOM 0 HD11 ILE A 34 -2.819 8.801 2.941 1.00 0.57 H new ATOM 0 HD12 ILE A 34 -2.292 7.197 2.378 1.00 0.57 H new ATOM 0 HD13 ILE A 34 -1.117 8.313 3.114 1.00 0.57 H new ATOM 246 N HIS A 35 2.175 8.883 -1.368 1.00 0.41 N ATOM 247 CA HIS A 35 3.440 8.375 -1.895 1.00 0.40 C ATOM 248 C HIS A 35 4.069 7.407 -0.905 1.00 0.40 C ATOM 249 O HIS A 35 4.226 7.718 0.278 1.00 0.58 O ATOM 250 CB HIS A 35 4.414 9.518 -2.191 1.00 0.54 C ATOM 251 CG HIS A 35 4.272 10.085 -3.570 1.00 0.61 C ATOM 252 ND1 HIS A 35 4.523 11.401 -3.889 1.00 0.82 N ATOM 253 CD2 HIS A 35 3.906 9.483 -4.731 1.00 0.77 C ATOM 254 CE1 HIS A 35 4.306 11.555 -5.202 1.00 0.90 C ATOM 255 NE2 HIS A 35 3.929 10.421 -5.760 1.00 0.91 N ATOM 0 H HIS A 35 2.249 9.754 -0.843 1.00 0.41 H new ATOM 0 HA HIS A 35 3.230 7.853 -2.828 1.00 0.40 H new ATOM 0 HB2 HIS A 35 4.259 10.314 -1.462 1.00 0.54 H new ATOM 0 HB3 HIS A 35 5.434 9.158 -2.058 1.00 0.54 H new ATOM 0 HD2 HIS A 35 3.639 8.442 -4.839 1.00 0.77 H new ATOM 0 HE1 HIS A 35 4.424 12.487 -5.735 1.00 0.90 H new ATOM 0 HE2 HIS A 35 3.701 10.264 -6.742 1.00 0.91 H new ATOM 263 N PHE A 36 4.422 6.225 -1.402 1.00 0.39 N ATOM 264 CA PHE A 36 5.004 5.183 -0.568 1.00 0.48 C ATOM 265 C PHE A 36 6.440 4.853 -0.964 1.00 0.45 C ATOM 266 O PHE A 36 6.740 4.629 -2.138 1.00 0.54 O ATOM 267 CB PHE A 36 4.162 3.909 -0.666 1.00 0.65 C ATOM 268 CG PHE A 36 2.983 3.873 0.263 1.00 0.66 C ATOM 269 CD1 PHE A 36 1.903 4.717 0.071 1.00 0.73 C ATOM 270 CD2 PHE A 36 2.954 2.986 1.325 1.00 1.39 C ATOM 271 CE1 PHE A 36 0.819 4.677 0.924 1.00 0.80 C ATOM 272 CE2 PHE A 36 1.873 2.942 2.180 1.00 1.54 C ATOM 273 CZ PHE A 36 0.804 3.788 1.979 1.00 0.99 C ATOM 0 H PHE A 36 4.314 5.966 -2.383 1.00 0.39 H new ATOM 0 HA PHE A 36 5.014 5.563 0.454 1.00 0.48 H new ATOM 0 HB2 PHE A 36 3.806 3.801 -1.690 1.00 0.65 H new ATOM 0 HB3 PHE A 36 4.799 3.050 -0.458 1.00 0.65 H new ATOM 0 HD1 PHE A 36 1.909 5.414 -0.754 1.00 0.73 H new ATOM 0 HD2 PHE A 36 3.789 2.320 1.486 1.00 1.39 H new ATOM 0 HE1 PHE A 36 -0.018 5.342 0.766 1.00 0.80 H new ATOM 0 HE2 PHE A 36 1.864 2.246 3.006 1.00 1.54 H new ATOM 0 HZ PHE A 36 -0.044 3.755 2.646 1.00 0.99 H new ATOM 283 N LYS A 37 7.320 4.834 0.033 1.00 0.43 N ATOM 284 CA LYS A 37 8.717 4.472 -0.171 1.00 0.42 C ATOM 285 C LYS A 37 9.007 3.239 0.671 1.00 0.39 C ATOM 286 O LYS A 37 9.091 3.319 1.897 1.00 0.38 O ATOM 287 CB LYS A 37 9.647 5.621 0.227 1.00 0.47 C ATOM 288 CG LYS A 37 9.509 6.850 -0.657 1.00 0.56 C ATOM 289 CD LYS A 37 10.407 7.981 -0.184 1.00 0.65 C ATOM 290 CE LYS A 37 10.229 9.223 -1.041 1.00 0.80 C ATOM 291 NZ LYS A 37 11.062 10.358 -0.558 1.00 0.94 N ATOM 0 H LYS A 37 7.086 5.067 0.998 1.00 0.43 H new ATOM 0 HA LYS A 37 8.894 4.264 -1.226 1.00 0.42 H new ATOM 0 HB2 LYS A 37 9.442 5.902 1.260 1.00 0.47 H new ATOM 0 HB3 LYS A 37 10.679 5.271 0.190 1.00 0.47 H new ATOM 0 HG2 LYS A 37 9.761 6.590 -1.685 1.00 0.56 H new ATOM 0 HG3 LYS A 37 8.471 7.184 -0.658 1.00 0.56 H new ATOM 0 HD2 LYS A 37 10.180 8.218 0.855 1.00 0.65 H new ATOM 0 HD3 LYS A 37 11.448 7.660 -0.217 1.00 0.65 H new ATOM 0 HE2 LYS A 37 10.494 8.992 -2.073 1.00 0.80 H new ATOM 0 HE3 LYS A 37 9.179 9.517 -1.039 1.00 0.80 H new ATOM 0 HZ1 LYS A 37 10.911 11.185 -1.170 1.00 0.94 H new ATOM 0 HZ2 LYS A 37 10.792 10.596 0.418 1.00 0.94 H new ATOM 0 HZ3 LYS A 37 12.066 10.087 -0.584 1.00 0.94 H new ATOM 305 N VAL A 38 9.162 2.099 0.011 1.00 0.42 N ATOM 306 CA VAL A 38 9.391 0.841 0.713 1.00 0.44 C ATOM 307 C VAL A 38 10.641 0.134 0.200 1.00 0.46 C ATOM 308 O VAL A 38 11.059 0.345 -0.936 1.00 0.52 O ATOM 309 CB VAL A 38 8.176 -0.108 0.552 1.00 0.49 C ATOM 310 CG1 VAL A 38 8.033 -1.024 1.754 1.00 0.60 C ATOM 311 CG2 VAL A 38 6.889 0.677 0.333 1.00 0.53 C ATOM 0 H VAL A 38 9.134 2.018 -1.005 1.00 0.42 H new ATOM 0 HA VAL A 38 9.529 1.085 1.766 1.00 0.44 H new ATOM 0 HB VAL A 38 8.358 -0.723 -0.330 1.00 0.49 H new ATOM 0 HG11 VAL A 38 7.173 -1.678 1.613 1.00 0.60 H new ATOM 0 HG12 VAL A 38 8.934 -1.628 1.861 1.00 0.60 H new ATOM 0 HG13 VAL A 38 7.889 -0.425 2.653 1.00 0.60 H new ATOM 0 HG21 VAL A 38 6.055 -0.016 0.223 1.00 0.53 H new ATOM 0 HG22 VAL A 38 6.710 1.328 1.188 1.00 0.53 H new ATOM 0 HG23 VAL A 38 6.980 1.281 -0.570 1.00 0.53 H new ATOM 321 N LYS A 39 11.237 -0.703 1.048 1.00 0.47 N ATOM 322 CA LYS A 39 12.430 -1.453 0.669 1.00 0.53 C ATOM 323 C LYS A 39 12.045 -2.771 -0.008 1.00 0.57 C ATOM 324 O LYS A 39 10.877 -2.994 -0.335 1.00 0.65 O ATOM 325 CB LYS A 39 13.312 -1.722 1.894 1.00 0.61 C ATOM 326 CG LYS A 39 14.023 -0.484 2.422 1.00 0.53 C ATOM 327 CD LYS A 39 15.140 -0.856 3.384 1.00 1.09 C ATOM 328 CE LYS A 39 15.948 0.362 3.801 1.00 1.08 C ATOM 329 NZ LYS A 39 17.148 -0.017 4.599 1.00 1.98 N ATOM 0 H LYS A 39 10.913 -0.878 1.999 1.00 0.47 H new ATOM 0 HA LYS A 39 12.998 -0.852 -0.041 1.00 0.53 H new ATOM 0 HB2 LYS A 39 12.696 -2.142 2.689 1.00 0.61 H new ATOM 0 HB3 LYS A 39 14.057 -2.475 1.636 1.00 0.61 H new ATOM 0 HG2 LYS A 39 14.433 0.086 1.588 1.00 0.53 H new ATOM 0 HG3 LYS A 39 13.305 0.162 2.927 1.00 0.53 H new ATOM 0 HD2 LYS A 39 14.716 -1.332 4.268 1.00 1.09 H new ATOM 0 HD3 LYS A 39 15.798 -1.586 2.913 1.00 1.09 H new ATOM 0 HE2 LYS A 39 16.261 0.912 2.913 1.00 1.08 H new ATOM 0 HE3 LYS A 39 15.319 1.032 4.387 1.00 1.08 H new ATOM 0 HZ1 LYS A 39 17.673 0.840 4.865 1.00 1.98 H new ATOM 0 HZ2 LYS A 39 16.849 -0.520 5.459 1.00 1.98 H new ATOM 0 HZ3 LYS A 39 17.761 -0.636 4.031 1.00 1.98 H new ATOM 343 N MET A 40 13.028 -3.641 -0.220 1.00 0.63 N ATOM 344 CA MET A 40 12.783 -4.929 -0.865 1.00 0.72 C ATOM 345 C MET A 40 12.664 -6.058 0.161 1.00 0.75 C ATOM 346 O MET A 40 12.159 -7.137 -0.150 1.00 0.85 O ATOM 347 CB MET A 40 13.904 -5.240 -1.860 1.00 0.85 C ATOM 348 CG MET A 40 14.000 -4.234 -2.998 1.00 0.94 C ATOM 349 SD MET A 40 15.314 -4.623 -4.173 1.00 1.31 S ATOM 350 CE MET A 40 16.767 -4.441 -3.141 1.00 1.48 C ATOM 0 H MET A 40 14.000 -3.479 0.044 1.00 0.63 H new ATOM 0 HA MET A 40 11.835 -4.860 -1.398 1.00 0.72 H new ATOM 0 HB2 MET A 40 14.855 -5.267 -1.328 1.00 0.85 H new ATOM 0 HB3 MET A 40 13.744 -6.234 -2.277 1.00 0.85 H new ATOM 0 HG2 MET A 40 13.047 -4.198 -3.526 1.00 0.94 H new ATOM 0 HG3 MET A 40 14.172 -3.241 -2.584 1.00 0.94 H new ATOM 0 HE1 MET A 40 17.650 -4.332 -3.771 1.00 1.48 H new ATOM 0 HE2 MET A 40 16.658 -3.557 -2.512 1.00 1.48 H new ATOM 0 HE3 MET A 40 16.878 -5.323 -2.511 1.00 1.48 H new ATOM 360 N THR A 41 13.127 -5.802 1.384 1.00 0.74 N ATOM 361 CA THR A 41 13.071 -6.800 2.453 1.00 0.82 C ATOM 362 C THR A 41 11.970 -6.469 3.463 1.00 0.78 C ATOM 363 O THR A 41 11.990 -6.942 4.601 1.00 0.96 O ATOM 364 CB THR A 41 14.424 -6.897 3.191 1.00 0.94 C ATOM 365 OG1 THR A 41 15.492 -6.532 2.308 1.00 1.32 O ATOM 366 CG2 THR A 41 14.662 -8.307 3.715 1.00 1.14 C ATOM 0 H THR A 41 13.545 -4.913 1.660 1.00 0.74 H new ATOM 0 HA THR A 41 12.847 -7.759 1.985 1.00 0.82 H new ATOM 0 HB THR A 41 14.395 -6.211 4.037 1.00 0.94 H new ATOM 0 HG1 THR A 41 16.346 -6.595 2.784 1.00 1.32 H new ATOM 0 HG21 THR A 41 15.622 -8.347 4.230 1.00 1.14 H new ATOM 0 HG22 THR A 41 13.866 -8.576 4.409 1.00 1.14 H new ATOM 0 HG23 THR A 41 14.669 -9.009 2.881 1.00 1.14 H new ATOM 374 N THR A 42 11.005 -5.663 3.038 1.00 0.71 N ATOM 375 CA THR A 42 9.903 -5.262 3.905 1.00 0.73 C ATOM 376 C THR A 42 8.578 -5.865 3.445 1.00 0.66 C ATOM 377 O THR A 42 8.281 -5.893 2.251 1.00 0.63 O ATOM 378 CB THR A 42 9.775 -3.730 3.949 1.00 0.84 C ATOM 379 OG1 THR A 42 9.957 -3.198 2.635 1.00 0.81 O ATOM 380 CG2 THR A 42 10.804 -3.126 4.892 1.00 1.32 C ATOM 0 H THR A 42 10.963 -5.273 2.096 1.00 0.71 H new ATOM 0 HA THR A 42 10.128 -5.637 4.903 1.00 0.73 H new ATOM 0 HB THR A 42 8.781 -3.476 4.316 1.00 0.84 H new ATOM 0 HG1 THR A 42 9.349 -3.649 2.013 1.00 0.81 H new ATOM 0 HG21 THR A 42 10.693 -2.042 4.906 1.00 1.32 H new ATOM 0 HG22 THR A 42 10.651 -3.519 5.897 1.00 1.32 H new ATOM 0 HG23 THR A 42 11.806 -3.384 4.550 1.00 1.32 H new ATOM 388 N HIS A 43 7.782 -6.334 4.405 1.00 0.70 N ATOM 389 CA HIS A 43 6.487 -6.945 4.107 1.00 0.71 C ATOM 390 C HIS A 43 5.448 -5.896 3.725 1.00 0.67 C ATOM 391 O HIS A 43 5.585 -4.717 4.057 1.00 0.67 O ATOM 392 CB HIS A 43 5.986 -7.752 5.308 1.00 0.82 C ATOM 393 CG HIS A 43 6.748 -9.019 5.544 1.00 0.84 C ATOM 394 ND1 HIS A 43 7.903 -9.093 6.291 1.00 0.93 N ATOM 395 CD2 HIS A 43 6.498 -10.281 5.113 1.00 0.97 C ATOM 396 CE1 HIS A 43 8.311 -10.369 6.289 1.00 0.94 C ATOM 397 NE2 HIS A 43 7.493 -11.131 5.588 1.00 0.94 N ATOM 0 H HIS A 43 8.012 -6.302 5.398 1.00 0.70 H new ATOM 0 HA HIS A 43 6.629 -7.612 3.257 1.00 0.71 H new ATOM 0 HB2 HIS A 43 6.046 -7.131 6.202 1.00 0.82 H new ATOM 0 HB3 HIS A 43 4.934 -7.994 5.158 1.00 0.82 H new ATOM 0 HD2 HIS A 43 5.661 -10.579 4.499 1.00 0.97 H new ATOM 0 HE1 HIS A 43 9.195 -10.728 6.796 1.00 0.94 H new ATOM 0 HE2 HIS A 43 7.573 -12.135 5.427 1.00 0.94 H new ATOM 405 N LEU A 44 4.402 -6.339 3.028 1.00 0.66 N ATOM 406 CA LEU A 44 3.330 -5.445 2.603 1.00 0.64 C ATOM 407 C LEU A 44 2.341 -5.198 3.734 1.00 0.63 C ATOM 408 O LEU A 44 1.453 -4.354 3.618 1.00 0.58 O ATOM 409 CB LEU A 44 2.592 -6.021 1.393 1.00 0.64 C ATOM 410 CG LEU A 44 3.395 -6.056 0.093 1.00 0.69 C ATOM 411 CD1 LEU A 44 2.530 -6.572 -1.044 1.00 0.72 C ATOM 412 CD2 LEU A 44 3.946 -4.676 -0.238 1.00 0.68 C ATOM 0 H LEU A 44 4.276 -7.311 2.747 1.00 0.66 H new ATOM 0 HA LEU A 44 3.786 -4.495 2.324 1.00 0.64 H new ATOM 0 HB2 LEU A 44 2.274 -7.036 1.632 1.00 0.64 H new ATOM 0 HB3 LEU A 44 1.688 -5.435 1.227 1.00 0.64 H new ATOM 0 HG LEU A 44 4.238 -6.734 0.226 1.00 0.69 H new ATOM 0 HD11 LEU A 44 3.113 -6.592 -1.965 1.00 0.72 H new ATOM 0 HD12 LEU A 44 2.185 -7.579 -0.811 1.00 0.72 H new ATOM 0 HD13 LEU A 44 1.670 -5.915 -1.174 1.00 0.72 H new ATOM 0 HD21 LEU A 44 4.514 -4.724 -1.167 1.00 0.68 H new ATOM 0 HD22 LEU A 44 3.121 -3.973 -0.353 1.00 0.68 H new ATOM 0 HD23 LEU A 44 4.598 -4.341 0.569 1.00 0.68 H new ATOM 424 N LYS A 45 2.493 -5.946 4.825 1.00 0.68 N ATOM 425 CA LYS A 45 1.623 -5.791 5.981 1.00 0.70 C ATOM 426 C LYS A 45 1.870 -4.443 6.646 1.00 0.69 C ATOM 427 O LYS A 45 0.940 -3.799 7.125 1.00 0.69 O ATOM 428 CB LYS A 45 1.850 -6.922 6.985 1.00 0.78 C ATOM 429 CG LYS A 45 0.850 -6.920 8.127 1.00 0.82 C ATOM 430 CD LYS A 45 0.846 -8.242 8.870 1.00 0.85 C ATOM 431 CE LYS A 45 -0.182 -8.241 9.988 1.00 0.90 C ATOM 432 NZ LYS A 45 -0.455 -9.614 10.492 1.00 0.93 N ATOM 0 H LYS A 45 3.210 -6.664 4.929 1.00 0.68 H new ATOM 0 HA LYS A 45 0.588 -5.835 5.641 1.00 0.70 H new ATOM 0 HB2 LYS A 45 1.794 -7.878 6.464 1.00 0.78 H new ATOM 0 HB3 LYS A 45 2.857 -6.840 7.393 1.00 0.78 H new ATOM 0 HG2 LYS A 45 1.090 -6.114 8.820 1.00 0.82 H new ATOM 0 HG3 LYS A 45 -0.148 -6.718 7.737 1.00 0.82 H new ATOM 0 HD2 LYS A 45 0.629 -9.053 8.174 1.00 0.85 H new ATOM 0 HD3 LYS A 45 1.836 -8.433 9.283 1.00 0.85 H new ATOM 0 HE2 LYS A 45 0.174 -7.617 10.808 1.00 0.90 H new ATOM 0 HE3 LYS A 45 -1.109 -7.795 9.628 1.00 0.90 H new ATOM 0 HZ1 LYS A 45 -1.162 -9.570 11.254 1.00 0.93 H new ATOM 0 HZ2 LYS A 45 -0.819 -10.203 9.716 1.00 0.93 H new ATOM 0 HZ3 LYS A 45 0.424 -10.030 10.859 1.00 0.93 H new ATOM 446 N LYS A 46 3.133 -4.018 6.652 1.00 0.71 N ATOM 447 CA LYS A 46 3.510 -2.739 7.242 1.00 0.74 C ATOM 448 C LYS A 46 3.046 -1.596 6.350 1.00 0.64 C ATOM 449 O LYS A 46 2.769 -0.496 6.825 1.00 0.64 O ATOM 450 CB LYS A 46 5.024 -2.674 7.457 1.00 0.81 C ATOM 451 CG LYS A 46 5.561 -3.794 8.338 1.00 0.88 C ATOM 452 CD LYS A 46 4.938 -3.765 9.725 1.00 0.99 C ATOM 453 CE LYS A 46 5.212 -5.049 10.489 1.00 1.10 C ATOM 454 NZ LYS A 46 4.422 -5.120 11.750 1.00 1.27 N ATOM 0 H LYS A 46 3.912 -4.543 6.254 1.00 0.71 H new ATOM 0 HA LYS A 46 3.024 -2.643 8.213 1.00 0.74 H new ATOM 0 HB2 LYS A 46 5.523 -2.714 6.489 1.00 0.81 H new ATOM 0 HB3 LYS A 46 5.278 -1.715 7.907 1.00 0.81 H new ATOM 0 HG2 LYS A 46 5.358 -4.756 7.868 1.00 0.88 H new ATOM 0 HG3 LYS A 46 6.644 -3.703 8.423 1.00 0.88 H new ATOM 0 HD2 LYS A 46 5.333 -2.917 10.284 1.00 0.99 H new ATOM 0 HD3 LYS A 46 3.862 -3.616 9.638 1.00 0.99 H new ATOM 0 HE2 LYS A 46 4.970 -5.905 9.860 1.00 1.10 H new ATOM 0 HE3 LYS A 46 6.275 -5.114 10.721 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 4.433 -6.095 12.112 1.00 1.27 H new ATOM 0 HZ2 LYS A 46 4.840 -4.483 12.458 1.00 1.27 H new ATOM 0 HZ3 LYS A 46 3.441 -4.832 11.562 1.00 1.27 H new ATOM 468 N LEU A 47 2.968 -1.875 5.051 1.00 0.58 N ATOM 469 CA LEU A 47 2.500 -0.900 4.074 1.00 0.50 C ATOM 470 C LEU A 47 1.004 -0.668 4.271 1.00 0.45 C ATOM 471 O LEU A 47 0.511 0.457 4.162 1.00 0.42 O ATOM 472 CB LEU A 47 2.784 -1.411 2.653 1.00 0.50 C ATOM 473 CG LEU A 47 2.126 -0.626 1.515 1.00 0.49 C ATOM 474 CD1 LEU A 47 3.109 -0.435 0.374 1.00 0.51 C ATOM 475 CD2 LEU A 47 0.877 -1.343 1.018 1.00 0.63 C ATOM 0 H LEU A 47 3.226 -2.777 4.650 1.00 0.58 H new ATOM 0 HA LEU A 47 3.027 0.044 4.213 1.00 0.50 H new ATOM 0 HB2 LEU A 47 3.862 -1.406 2.495 1.00 0.50 H new ATOM 0 HB3 LEU A 47 2.457 -2.449 2.589 1.00 0.50 H new ATOM 0 HG LEU A 47 1.832 0.352 1.897 1.00 0.49 H new ATOM 0 HD11 LEU A 47 2.630 0.124 -0.429 1.00 0.51 H new ATOM 0 HD12 LEU A 47 3.979 0.116 0.731 1.00 0.51 H new ATOM 0 HD13 LEU A 47 3.425 -1.409 -0.001 1.00 0.51 H new ATOM 0 HD21 LEU A 47 0.425 -0.768 0.210 1.00 0.63 H new ATOM 0 HD22 LEU A 47 1.147 -2.333 0.652 1.00 0.63 H new ATOM 0 HD23 LEU A 47 0.164 -1.441 1.836 1.00 0.63 H new ATOM 487 N LYS A 48 0.298 -1.758 4.566 1.00 0.46 N ATOM 488 CA LYS A 48 -1.138 -1.723 4.804 1.00 0.44 C ATOM 489 C LYS A 48 -1.447 -0.988 6.108 1.00 0.48 C ATOM 490 O LYS A 48 -2.421 -0.242 6.195 1.00 0.48 O ATOM 491 CB LYS A 48 -1.679 -3.155 4.859 1.00 0.48 C ATOM 492 CG LYS A 48 -3.194 -3.253 4.806 1.00 0.50 C ATOM 493 CD LYS A 48 -3.658 -4.693 4.955 1.00 0.59 C ATOM 494 CE LYS A 48 -5.172 -4.804 4.888 1.00 0.65 C ATOM 495 NZ LYS A 48 -5.642 -6.175 5.234 1.00 0.77 N ATOM 0 H LYS A 48 0.708 -2.688 4.646 1.00 0.46 H new ATOM 0 HA LYS A 48 -1.622 -1.186 3.989 1.00 0.44 H new ATOM 0 HB2 LYS A 48 -1.261 -3.721 4.027 1.00 0.48 H new ATOM 0 HB3 LYS A 48 -1.328 -3.629 5.776 1.00 0.48 H new ATOM 0 HG2 LYS A 48 -3.628 -2.644 5.599 1.00 0.50 H new ATOM 0 HG3 LYS A 48 -3.554 -2.848 3.860 1.00 0.50 H new ATOM 0 HD2 LYS A 48 -3.213 -5.302 4.168 1.00 0.59 H new ATOM 0 HD3 LYS A 48 -3.305 -5.093 5.906 1.00 0.59 H new ATOM 0 HE2 LYS A 48 -5.620 -4.083 5.572 1.00 0.65 H new ATOM 0 HE3 LYS A 48 -5.511 -4.546 3.885 1.00 0.65 H new ATOM 0 HZ1 LYS A 48 -6.680 -6.211 5.177 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.235 -6.860 4.566 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.340 -6.412 6.201 1.00 0.77 H new ATOM 509 N GLU A 49 -0.595 -1.202 7.115 1.00 0.55 N ATOM 510 CA GLU A 49 -0.757 -0.564 8.422 1.00 0.61 C ATOM 511 C GLU A 49 -0.506 0.939 8.337 1.00 0.61 C ATOM 512 O GLU A 49 -1.187 1.727 8.992 1.00 0.63 O ATOM 513 CB GLU A 49 0.204 -1.185 9.444 1.00 0.71 C ATOM 514 CG GLU A 49 -0.120 -2.625 9.805 1.00 0.76 C ATOM 515 CD GLU A 49 0.958 -3.273 10.654 1.00 0.85 C ATOM 516 OE1 GLU A 49 1.029 -2.964 11.861 1.00 0.95 O ATOM 517 OE2 GLU A 49 1.728 -4.093 10.112 1.00 0.89 O ATOM 0 H GLU A 49 0.217 -1.815 7.048 1.00 0.55 H new ATOM 0 HA GLU A 49 -1.785 -0.728 8.744 1.00 0.61 H new ATOM 0 HB2 GLU A 49 1.218 -1.141 9.047 1.00 0.71 H new ATOM 0 HB3 GLU A 49 0.191 -0.582 10.352 1.00 0.71 H new ATOM 0 HG2 GLU A 49 -1.068 -2.656 10.343 1.00 0.76 H new ATOM 0 HG3 GLU A 49 -0.253 -3.203 8.891 1.00 0.76 H new ATOM 524 N SER A 50 0.474 1.325 7.521 1.00 0.60 N ATOM 525 CA SER A 50 0.834 2.729 7.351 1.00 0.62 C ATOM 526 C SER A 50 -0.254 3.512 6.614 1.00 0.54 C ATOM 527 O SER A 50 -0.497 4.677 6.918 1.00 0.56 O ATOM 528 CB SER A 50 2.160 2.843 6.600 1.00 0.67 C ATOM 529 OG SER A 50 3.229 2.318 7.368 1.00 1.22 O ATOM 0 H SER A 50 1.035 0.679 6.965 1.00 0.60 H new ATOM 0 HA SER A 50 0.939 3.165 8.345 1.00 0.62 H new ATOM 0 HB2 SER A 50 2.092 2.308 5.653 1.00 0.67 H new ATOM 0 HB3 SER A 50 2.358 3.888 6.362 1.00 0.67 H new ATOM 0 HG SER A 50 3.230 1.340 7.302 1.00 1.22 H new ATOM 535 N TYR A 51 -0.899 2.871 5.641 1.00 0.47 N ATOM 536 CA TYR A 51 -1.960 3.519 4.870 1.00 0.41 C ATOM 537 C TYR A 51 -3.214 3.722 5.717 1.00 0.43 C ATOM 538 O TYR A 51 -3.898 4.736 5.592 1.00 0.44 O ATOM 539 CB TYR A 51 -2.303 2.692 3.628 1.00 0.38 C ATOM 540 CG TYR A 51 -3.165 3.431 2.623 1.00 0.38 C ATOM 541 CD1 TYR A 51 -2.701 4.577 1.988 1.00 0.42 C ATOM 542 CD2 TYR A 51 -4.440 2.979 2.308 1.00 0.45 C ATOM 543 CE1 TYR A 51 -3.484 5.252 1.071 1.00 0.46 C ATOM 544 CE2 TYR A 51 -5.228 3.649 1.391 1.00 0.50 C ATOM 545 CZ TYR A 51 -4.745 4.784 0.775 1.00 0.47 C ATOM 546 OH TYR A 51 -5.525 5.453 -0.141 1.00 0.55 O ATOM 0 H TYR A 51 -0.707 1.907 5.368 1.00 0.47 H new ATOM 0 HA TYR A 51 -1.592 4.497 4.559 1.00 0.41 H new ATOM 0 HB2 TYR A 51 -1.378 2.382 3.142 1.00 0.38 H new ATOM 0 HB3 TYR A 51 -2.820 1.784 3.938 1.00 0.38 H new ATOM 0 HD1 TYR A 51 -1.712 4.946 2.215 1.00 0.42 H new ATOM 0 HD2 TYR A 51 -4.822 2.090 2.787 1.00 0.45 H new ATOM 0 HE1 TYR A 51 -3.109 6.142 0.589 1.00 0.46 H new ATOM 0 HE2 TYR A 51 -6.218 3.285 1.158 1.00 0.50 H new ATOM 0 HH TYR A 51 -6.385 4.993 -0.237 1.00 0.55 H new ATOM 556 N CYS A 52 -3.503 2.751 6.580 1.00 0.45 N ATOM 557 CA CYS A 52 -4.682 2.805 7.441 1.00 0.49 C ATOM 558 C CYS A 52 -4.569 3.888 8.516 1.00 0.56 C ATOM 559 O CYS A 52 -5.552 4.563 8.820 1.00 0.60 O ATOM 560 CB CYS A 52 -4.913 1.442 8.094 1.00 0.53 C ATOM 561 SG CYS A 52 -5.501 0.170 6.951 1.00 0.50 S ATOM 0 H CYS A 52 -2.934 1.913 6.702 1.00 0.45 H new ATOM 0 HA CYS A 52 -5.533 3.062 6.811 1.00 0.49 H new ATOM 0 HB2 CYS A 52 -3.981 1.105 8.548 1.00 0.53 H new ATOM 0 HB3 CYS A 52 -5.638 1.555 8.900 1.00 0.53 H new ATOM 0 HG CYS A 52 -4.488 -0.355 6.328 1.00 0.50 H new ATOM 567 N GLN A 53 -3.378 4.051 9.091 1.00 0.58 N ATOM 568 CA GLN A 53 -3.169 5.056 10.137 1.00 0.67 C ATOM 569 C GLN A 53 -3.038 6.465 9.551 1.00 0.67 C ATOM 570 O GLN A 53 -3.387 7.448 10.203 1.00 0.74 O ATOM 571 CB GLN A 53 -1.939 4.711 10.990 1.00 0.72 C ATOM 572 CG GLN A 53 -0.631 4.639 10.212 1.00 0.73 C ATOM 573 CD GLN A 53 0.169 5.929 10.277 1.00 0.77 C ATOM 574 OE1 GLN A 53 0.118 6.659 11.266 1.00 0.81 O ATOM 575 NE2 GLN A 53 0.913 6.216 9.216 1.00 0.82 N ATOM 0 H GLN A 53 -2.549 3.506 8.854 1.00 0.58 H new ATOM 0 HA GLN A 53 -4.050 5.045 10.778 1.00 0.67 H new ATOM 0 HB2 GLN A 53 -1.838 5.457 11.778 1.00 0.72 H new ATOM 0 HB3 GLN A 53 -2.109 3.752 11.479 1.00 0.72 H new ATOM 0 HG2 GLN A 53 -0.025 3.822 10.604 1.00 0.73 H new ATOM 0 HG3 GLN A 53 -0.847 4.404 9.170 1.00 0.73 H new ATOM 0 HE21 GLN A 53 0.927 5.583 8.416 1.00 0.82 H new ATOM 0 HE22 GLN A 53 1.471 7.070 9.200 1.00 0.82 H new ATOM 584 N ARG A 54 -2.537 6.556 8.321 1.00 0.62 N ATOM 585 CA ARG A 54 -2.353 7.845 7.656 1.00 0.64 C ATOM 586 C ARG A 54 -3.630 8.284 6.934 1.00 0.64 C ATOM 587 O ARG A 54 -3.665 9.343 6.304 1.00 0.75 O ATOM 588 CB ARG A 54 -1.187 7.755 6.660 1.00 0.61 C ATOM 589 CG ARG A 54 -0.695 9.102 6.143 1.00 0.70 C ATOM 590 CD ARG A 54 0.089 9.862 7.200 1.00 0.87 C ATOM 591 NE ARG A 54 1.398 9.261 7.446 1.00 0.98 N ATOM 592 CZ ARG A 54 2.178 9.573 8.479 1.00 1.21 C ATOM 593 NH1 ARG A 54 1.780 10.469 9.374 1.00 1.36 N ATOM 594 NH2 ARG A 54 3.359 8.985 8.617 1.00 1.36 N ATOM 0 H ARG A 54 -2.251 5.751 7.763 1.00 0.62 H new ATOM 0 HA ARG A 54 -2.124 8.592 8.416 1.00 0.64 H new ATOM 0 HB2 ARG A 54 -0.356 7.238 7.139 1.00 0.61 H new ATOM 0 HB3 ARG A 54 -1.496 7.145 5.811 1.00 0.61 H new ATOM 0 HG2 ARG A 54 -0.066 8.947 5.266 1.00 0.70 H new ATOM 0 HG3 ARG A 54 -1.547 9.701 5.822 1.00 0.70 H new ATOM 0 HD2 ARG A 54 0.219 10.896 6.882 1.00 0.87 H new ATOM 0 HD3 ARG A 54 -0.481 9.883 8.129 1.00 0.87 H new ATOM 0 HE ARG A 54 1.735 8.560 6.786 1.00 0.98 H new ATOM 0 HH11 ARG A 54 0.872 10.923 9.273 1.00 1.36 H new ATOM 0 HH12 ARG A 54 2.382 10.704 10.163 1.00 1.36 H new ATOM 0 HH21 ARG A 54 3.668 8.295 7.932 1.00 1.36 H new ATOM 0 HH22 ARG A 54 3.958 9.223 9.408 1.00 1.36 H new ATOM 608 N GLN A 55 -4.686 7.483 7.038 1.00 0.59 N ATOM 609 CA GLN A 55 -5.941 7.805 6.369 1.00 0.62 C ATOM 610 C GLN A 55 -7.145 7.698 7.305 1.00 0.68 C ATOM 611 O GLN A 55 -8.243 8.127 6.948 1.00 0.71 O ATOM 612 CB GLN A 55 -6.139 6.876 5.169 1.00 0.57 C ATOM 613 CG GLN A 55 -6.869 7.522 4.002 1.00 0.63 C ATOM 614 CD GLN A 55 -6.131 8.725 3.449 1.00 0.64 C ATOM 615 OE1 GLN A 55 -5.245 8.589 2.606 1.00 0.60 O ATOM 616 NE2 GLN A 55 -6.498 9.912 3.914 1.00 0.76 N ATOM 0 H GLN A 55 -4.698 6.615 7.573 1.00 0.59 H new ATOM 0 HA GLN A 55 -5.876 8.841 6.038 1.00 0.62 H new ATOM 0 HB2 GLN A 55 -5.164 6.528 4.827 1.00 0.57 H new ATOM 0 HB3 GLN A 55 -6.696 5.996 5.491 1.00 0.57 H new ATOM 0 HG2 GLN A 55 -7.003 6.786 3.209 1.00 0.63 H new ATOM 0 HG3 GLN A 55 -7.864 7.827 4.325 1.00 0.63 H new ATOM 0 HE21 GLN A 55 -7.238 9.979 4.613 1.00 0.76 H new ATOM 0 HE22 GLN A 55 -6.040 10.757 3.572 1.00 0.76 H new ATOM 625 N GLY A 56 -6.946 7.145 8.505 1.00 0.71 N ATOM 626 CA GLY A 56 -8.063 6.989 9.423 1.00 0.78 C ATOM 627 C GLY A 56 -9.128 6.023 8.943 1.00 0.77 C ATOM 628 O GLY A 56 -10.294 6.388 8.832 1.00 0.82 O ATOM 0 H GLY A 56 -6.047 6.809 8.851 1.00 0.71 H new ATOM 0 HA2 GLY A 56 -7.683 6.646 10.385 1.00 0.78 H new ATOM 0 HA3 GLY A 56 -8.521 7.964 9.590 1.00 0.78 H new ATOM 632 N VAL A 57 -8.734 4.783 8.675 1.00 0.73 N ATOM 633 CA VAL A 57 -9.660 3.767 8.184 1.00 0.74 C ATOM 634 C VAL A 57 -9.235 2.379 8.658 1.00 0.73 C ATOM 635 O VAL A 57 -8.119 1.949 8.386 1.00 0.68 O ATOM 636 CB VAL A 57 -9.683 3.759 6.644 1.00 0.68 C ATOM 637 CG1 VAL A 57 -10.550 2.629 6.141 1.00 0.71 C ATOM 638 CG2 VAL A 57 -10.193 5.092 6.127 1.00 0.71 C ATOM 0 H VAL A 57 -7.775 4.455 8.790 1.00 0.73 H new ATOM 0 HA VAL A 57 -10.649 4.007 8.573 1.00 0.74 H new ATOM 0 HB VAL A 57 -8.669 3.606 6.274 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -10.558 2.634 5.051 1.00 0.71 H new ATOM 0 HG12 VAL A 57 -10.152 1.679 6.497 1.00 0.71 H new ATOM 0 HG13 VAL A 57 -11.567 2.758 6.512 1.00 0.71 H new ATOM 0 HG21 VAL A 57 -10.206 5.079 5.037 1.00 0.71 H new ATOM 0 HG22 VAL A 57 -11.202 5.265 6.500 1.00 0.71 H new ATOM 0 HG23 VAL A 57 -9.537 5.891 6.472 1.00 0.71 H new ATOM 648 N PRO A 58 -10.128 1.653 9.350 1.00 0.80 N ATOM 649 CA PRO A 58 -9.811 0.308 9.849 1.00 0.82 C ATOM 650 C PRO A 58 -9.168 -0.632 8.827 1.00 0.76 C ATOM 651 O PRO A 58 -9.572 -0.680 7.666 1.00 0.73 O ATOM 652 CB PRO A 58 -11.163 -0.201 10.354 1.00 0.91 C ATOM 653 CG PRO A 58 -12.151 0.568 9.540 1.00 0.90 C ATOM 654 CD PRO A 58 -11.555 1.947 9.542 1.00 0.87 C ATOM 0 HA PRO A 58 -9.040 0.344 10.618 1.00 0.82 H new ATOM 0 HB2 PRO A 58 -11.269 -1.275 10.204 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -11.289 -0.014 11.420 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -12.248 0.167 8.531 1.00 0.90 H new ATOM 0 HG3 PRO A 58 -13.146 0.553 9.986 1.00 0.90 H new ATOM 0 HD2 PRO A 58 -11.957 2.568 8.741 1.00 0.87 H new ATOM 0 HD3 PRO A 58 -11.743 2.473 10.478 1.00 0.87 H new ATOM 662 N MET A 59 -8.165 -1.375 9.288 1.00 0.76 N ATOM 663 CA MET A 59 -7.412 -2.322 8.464 1.00 0.72 C ATOM 664 C MET A 59 -8.277 -3.112 7.477 1.00 0.73 C ATOM 665 O MET A 59 -7.836 -3.444 6.370 1.00 0.69 O ATOM 666 CB MET A 59 -6.669 -3.303 9.378 1.00 0.77 C ATOM 667 CG MET A 59 -5.611 -4.163 8.691 1.00 0.74 C ATOM 668 SD MET A 59 -4.140 -3.218 8.250 1.00 0.66 S ATOM 669 CE MET A 59 -3.752 -2.455 9.848 1.00 0.73 C ATOM 0 H MET A 59 -7.847 -1.337 10.256 1.00 0.76 H new ATOM 0 HA MET A 59 -6.720 -1.730 7.865 1.00 0.72 H new ATOM 0 HB2 MET A 59 -6.190 -2.737 10.177 1.00 0.77 H new ATOM 0 HB3 MET A 59 -7.400 -3.962 9.847 1.00 0.77 H new ATOM 0 HG2 MET A 59 -5.329 -4.983 9.351 1.00 0.74 H new ATOM 0 HG3 MET A 59 -6.036 -4.609 7.792 1.00 0.74 H new ATOM 0 HE1 MET A 59 -2.720 -2.105 9.843 1.00 0.73 H new ATOM 0 HE2 MET A 59 -4.420 -1.611 10.020 1.00 0.73 H new ATOM 0 HE3 MET A 59 -3.883 -3.189 10.643 1.00 0.73 H new ATOM 679 N ASN A 60 -9.506 -3.414 7.885 1.00 0.80 N ATOM 680 CA ASN A 60 -10.432 -4.181 7.061 1.00 0.84 C ATOM 681 C ASN A 60 -11.132 -3.333 6.010 1.00 0.82 C ATOM 682 O ASN A 60 -11.064 -3.624 4.819 1.00 0.80 O ATOM 683 CB ASN A 60 -11.490 -4.853 7.941 1.00 0.93 C ATOM 684 CG ASN A 60 -12.332 -3.848 8.713 1.00 0.96 C ATOM 685 OD1 ASN A 60 -11.828 -3.131 9.578 1.00 0.95 O ATOM 686 ND2 ASN A 60 -13.623 -3.789 8.394 1.00 1.01 N ATOM 0 H ASN A 60 -9.885 -3.136 8.790 1.00 0.80 H new ATOM 0 HA ASN A 60 -9.834 -4.929 6.540 1.00 0.84 H new ATOM 0 HB2 ASN A 60 -12.142 -5.464 7.317 1.00 0.93 H new ATOM 0 HB3 ASN A 60 -10.999 -5.526 8.644 1.00 0.93 H new ATOM 0 HD21 ASN A 60 -14.237 -3.130 8.873 1.00 1.01 H new ATOM 0 HD22 ASN A 60 -13.998 -4.402 7.670 1.00 1.01 H new ATOM 693 N SER A 61 -11.810 -2.289 6.474 1.00 0.84 N ATOM 694 CA SER A 61 -12.561 -1.377 5.624 1.00 0.84 C ATOM 695 C SER A 61 -12.149 -1.369 4.153 1.00 0.80 C ATOM 696 O SER A 61 -13.006 -1.344 3.275 1.00 0.85 O ATOM 697 CB SER A 61 -12.475 0.044 6.194 1.00 0.83 C ATOM 698 OG SER A 61 -13.322 0.951 5.500 1.00 0.85 O ATOM 0 H SER A 61 -11.853 -2.051 7.465 1.00 0.84 H new ATOM 0 HA SER A 61 -13.586 -1.749 5.633 1.00 0.84 H new ATOM 0 HB2 SER A 61 -12.749 0.028 7.249 1.00 0.83 H new ATOM 0 HB3 SER A 61 -11.445 0.395 6.137 1.00 0.83 H new ATOM 0 HG SER A 61 -13.491 1.736 6.062 1.00 0.85 H new ATOM 704 N LEU A 62 -10.851 -1.402 3.874 1.00 0.73 N ATOM 705 CA LEU A 62 -10.393 -1.371 2.489 1.00 0.70 C ATOM 706 C LEU A 62 -10.026 -2.740 1.914 1.00 0.72 C ATOM 707 O LEU A 62 -10.441 -3.778 2.422 1.00 0.77 O ATOM 708 CB LEU A 62 -9.183 -0.447 2.365 1.00 0.62 C ATOM 709 CG LEU A 62 -9.230 0.876 3.127 1.00 0.61 C ATOM 710 CD1 LEU A 62 -7.958 1.646 2.837 1.00 0.53 C ATOM 711 CD2 LEU A 62 -10.456 1.681 2.725 1.00 0.67 C ATOM 0 H LEU A 62 -10.109 -1.449 4.573 1.00 0.73 H new ATOM 0 HA LEU A 62 -11.240 -1.004 1.909 1.00 0.70 H new ATOM 0 HB2 LEU A 62 -8.303 -0.997 2.699 1.00 0.62 H new ATOM 0 HB3 LEU A 62 -9.037 -0.223 1.308 1.00 0.62 H new ATOM 0 HG LEU A 62 -9.302 0.684 4.197 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -7.976 2.594 3.374 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -7.097 1.062 3.161 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -7.884 1.837 1.766 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -10.472 2.620 3.278 1.00 0.67 H new ATOM 0 HD22 LEU A 62 -10.419 1.890 1.656 1.00 0.67 H new ATOM 0 HD23 LEU A 62 -11.356 1.110 2.952 1.00 0.67 H new ATOM 723 N ARG A 63 -9.248 -2.708 0.835 1.00 0.69 N ATOM 724 CA ARG A 63 -8.764 -3.900 0.138 1.00 0.72 C ATOM 725 C ARG A 63 -7.745 -3.409 -0.887 1.00 0.69 C ATOM 726 O ARG A 63 -8.007 -2.438 -1.599 1.00 0.70 O ATOM 727 CB ARG A 63 -9.908 -4.621 -0.578 1.00 0.82 C ATOM 728 CG ARG A 63 -9.447 -5.770 -1.462 1.00 0.86 C ATOM 729 CD ARG A 63 -10.552 -6.259 -2.395 1.00 0.95 C ATOM 730 NE ARG A 63 -11.550 -7.094 -1.726 1.00 1.01 N ATOM 731 CZ ARG A 63 -12.597 -7.638 -2.344 1.00 1.10 C ATOM 732 NH1 ARG A 63 -12.786 -7.428 -3.642 1.00 1.14 N ATOM 733 NH2 ARG A 63 -13.451 -8.400 -1.671 1.00 1.14 N ATOM 0 H ARG A 63 -8.929 -1.837 0.411 1.00 0.69 H new ATOM 0 HA ARG A 63 -8.327 -4.607 0.843 1.00 0.72 H new ATOM 0 HB2 ARG A 63 -10.607 -5.004 0.166 1.00 0.82 H new ATOM 0 HB3 ARG A 63 -10.454 -3.901 -1.188 1.00 0.82 H new ATOM 0 HG2 ARG A 63 -8.590 -5.449 -2.054 1.00 0.86 H new ATOM 0 HG3 ARG A 63 -9.111 -6.596 -0.835 1.00 0.86 H new ATOM 0 HD2 ARG A 63 -11.049 -5.397 -2.840 1.00 0.95 H new ATOM 0 HD3 ARG A 63 -10.104 -6.825 -3.212 1.00 0.95 H new ATOM 0 HE ARG A 63 -11.437 -7.270 -0.728 1.00 1.01 H new ATOM 0 HH11 ARG A 63 -12.129 -6.850 -4.166 1.00 1.14 H new ATOM 0 HH12 ARG A 63 -13.588 -7.845 -4.115 1.00 1.14 H new ATOM 0 HH21 ARG A 63 -13.307 -8.571 -0.676 1.00 1.14 H new ATOM 0 HH22 ARG A 63 -14.251 -8.814 -2.149 1.00 1.14 H new ATOM 747 N PHE A 64 -6.591 -4.067 -0.960 1.00 0.66 N ATOM 748 CA PHE A 64 -5.539 -3.658 -1.891 1.00 0.64 C ATOM 749 C PHE A 64 -5.313 -4.700 -2.978 1.00 0.72 C ATOM 750 O PHE A 64 -5.368 -5.898 -2.713 1.00 0.75 O ATOM 751 CB PHE A 64 -4.235 -3.412 -1.127 1.00 0.56 C ATOM 752 CG PHE A 64 -4.386 -2.487 0.047 1.00 0.50 C ATOM 753 CD1 PHE A 64 -5.142 -2.860 1.156 1.00 0.51 C ATOM 754 CD2 PHE A 64 -3.795 -1.231 0.040 1.00 0.44 C ATOM 755 CE1 PHE A 64 -5.313 -1.997 2.237 1.00 0.48 C ATOM 756 CE2 PHE A 64 -3.957 -0.360 1.115 1.00 0.40 C ATOM 757 CZ PHE A 64 -4.720 -0.746 2.216 1.00 0.42 C ATOM 0 H PHE A 64 -6.360 -4.881 -0.390 1.00 0.66 H new ATOM 0 HA PHE A 64 -5.862 -2.736 -2.375 1.00 0.64 H new ATOM 0 HB2 PHE A 64 -3.844 -4.367 -0.777 1.00 0.56 H new ATOM 0 HB3 PHE A 64 -3.496 -2.997 -1.812 1.00 0.56 H new ATOM 0 HD1 PHE A 64 -5.604 -3.836 1.179 1.00 0.51 H new ATOM 0 HD2 PHE A 64 -3.202 -0.925 -0.809 1.00 0.44 H new ATOM 0 HE1 PHE A 64 -5.905 -2.303 3.087 1.00 0.48 H new ATOM 0 HE2 PHE A 64 -3.491 0.614 1.095 1.00 0.40 H new ATOM 0 HZ PHE A 64 -4.848 -0.072 3.050 1.00 0.42 H new ATOM 767 N LEU A 65 -5.049 -4.240 -4.197 1.00 0.75 N ATOM 768 CA LEU A 65 -4.836 -5.148 -5.320 1.00 0.83 C ATOM 769 C LEU A 65 -3.571 -4.857 -6.124 1.00 0.84 C ATOM 770 O LEU A 65 -3.018 -3.755 -6.072 1.00 0.80 O ATOM 771 CB LEU A 65 -6.034 -5.090 -6.270 1.00 0.92 C ATOM 772 CG LEU A 65 -7.440 -5.165 -5.676 1.00 0.93 C ATOM 773 CD1 LEU A 65 -8.451 -5.060 -6.806 1.00 1.03 C ATOM 774 CD2 LEU A 65 -7.625 -6.463 -4.904 1.00 0.94 C ATOM 0 H LEU A 65 -4.978 -3.250 -4.432 1.00 0.75 H new ATOM 0 HA LEU A 65 -4.719 -6.138 -4.880 1.00 0.83 H new ATOM 0 HB2 LEU A 65 -5.963 -4.162 -6.837 1.00 0.92 H new ATOM 0 HB3 LEU A 65 -5.931 -5.908 -6.983 1.00 0.92 H new ATOM 0 HG LEU A 65 -7.589 -4.342 -4.977 1.00 0.93 H new ATOM 0 HD11 LEU A 65 -9.460 -5.112 -6.397 1.00 1.03 H new ATOM 0 HD12 LEU A 65 -8.318 -4.111 -7.326 1.00 1.03 H new ATOM 0 HD13 LEU A 65 -8.300 -5.881 -7.506 1.00 1.03 H new ATOM 0 HD21 LEU A 65 -8.632 -6.499 -4.488 1.00 0.94 H new ATOM 0 HD22 LEU A 65 -7.479 -7.309 -5.575 1.00 0.94 H new ATOM 0 HD23 LEU A 65 -6.896 -6.512 -4.095 1.00 0.94 H new ATOM 786 N PHE A 66 -3.131 -5.865 -6.873 1.00 0.91 N ATOM 787 CA PHE A 66 -1.956 -5.759 -7.730 1.00 0.94 C ATOM 788 C PHE A 66 -2.139 -6.713 -8.911 1.00 1.04 C ATOM 789 O PHE A 66 -2.690 -7.804 -8.752 1.00 1.07 O ATOM 790 CB PHE A 66 -0.689 -6.117 -6.956 1.00 0.89 C ATOM 791 CG PHE A 66 0.559 -6.040 -7.782 1.00 0.93 C ATOM 792 CD1 PHE A 66 0.896 -4.867 -8.445 1.00 0.94 C ATOM 793 CD2 PHE A 66 1.391 -7.147 -7.919 1.00 0.97 C ATOM 794 CE1 PHE A 66 2.040 -4.796 -9.238 1.00 0.99 C ATOM 795 CE2 PHE A 66 2.539 -7.088 -8.709 1.00 1.02 C ATOM 796 CZ PHE A 66 2.863 -5.908 -9.369 1.00 1.03 C ATOM 0 H PHE A 66 -3.581 -6.780 -6.902 1.00 0.91 H new ATOM 0 HA PHE A 66 -1.850 -4.734 -8.085 1.00 0.94 H new ATOM 0 HB2 PHE A 66 -0.592 -5.446 -6.103 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -0.789 -7.127 -6.557 1.00 0.89 H new ATOM 0 HD1 PHE A 66 0.263 -3.998 -8.345 1.00 0.94 H new ATOM 0 HD2 PHE A 66 1.144 -8.065 -7.406 1.00 0.97 H new ATOM 0 HE1 PHE A 66 2.287 -3.878 -9.750 1.00 0.99 H new ATOM 0 HE2 PHE A 66 3.174 -7.956 -8.808 1.00 1.02 H new ATOM 0 HZ PHE A 66 3.751 -5.856 -9.981 1.00 1.03 H new ATOM 806 N GLU A 67 -1.681 -6.303 -10.091 1.00 1.10 N ATOM 807 CA GLU A 67 -1.826 -7.122 -11.291 1.00 1.20 C ATOM 808 C GLU A 67 -3.273 -7.592 -11.385 1.00 1.24 C ATOM 809 O GLU A 67 -3.561 -8.669 -11.911 1.00 1.30 O ATOM 810 CB GLU A 67 -0.895 -8.338 -11.242 1.00 1.22 C ATOM 811 CG GLU A 67 0.584 -8.035 -11.448 1.00 1.21 C ATOM 812 CD GLU A 67 1.451 -9.294 -11.426 1.00 1.25 C ATOM 813 OE1 GLU A 67 1.470 -9.991 -10.387 1.00 1.21 O ATOM 814 OE2 GLU A 67 2.114 -9.586 -12.448 1.00 1.32 O ATOM 0 H GLU A 67 -1.208 -5.412 -10.242 1.00 1.10 H new ATOM 0 HA GLU A 67 -1.559 -6.526 -12.164 1.00 1.20 H new ATOM 0 HB2 GLU A 67 -1.017 -8.830 -10.277 1.00 1.22 H new ATOM 0 HB3 GLU A 67 -1.213 -9.049 -12.004 1.00 1.22 H new ATOM 0 HG2 GLU A 67 0.717 -7.524 -12.401 1.00 1.21 H new ATOM 0 HG3 GLU A 67 0.923 -7.351 -10.670 1.00 1.21 H new ATOM 821 N GLY A 68 -4.183 -6.780 -10.860 1.00 1.20 N ATOM 822 CA GLY A 68 -5.585 -7.137 -10.888 1.00 1.24 C ATOM 823 C GLY A 68 -5.969 -8.007 -9.707 1.00 1.20 C ATOM 824 O GLY A 68 -6.992 -7.766 -9.065 1.00 1.18 O ATOM 0 H GLY A 68 -3.974 -5.885 -10.418 1.00 1.20 H new ATOM 0 HA2 GLY A 68 -6.191 -6.231 -10.884 1.00 1.24 H new ATOM 0 HA3 GLY A 68 -5.807 -7.665 -11.815 1.00 1.24 H new ATOM 828 N GLN A 69 -5.151 -9.012 -9.407 1.00 1.20 N ATOM 829 CA GLN A 69 -5.444 -9.911 -8.295 1.00 1.17 C ATOM 830 C GLN A 69 -5.134 -9.336 -6.916 1.00 1.07 C ATOM 831 O GLN A 69 -4.213 -8.532 -6.749 1.00 1.01 O ATOM 832 CB GLN A 69 -4.722 -11.250 -8.484 1.00 1.22 C ATOM 833 CG GLN A 69 -5.274 -12.071 -9.643 1.00 1.32 C ATOM 834 CD GLN A 69 -4.846 -13.528 -9.600 1.00 1.37 C ATOM 835 OE1 GLN A 69 -3.655 -13.840 -9.614 1.00 1.36 O ATOM 836 NE2 GLN A 69 -5.823 -14.428 -9.550 1.00 1.43 N ATOM 0 H GLN A 69 -4.290 -9.223 -9.911 1.00 1.20 H new ATOM 0 HA GLN A 69 -6.524 -10.058 -8.318 1.00 1.17 H new ATOM 0 HB2 GLN A 69 -3.661 -11.063 -8.652 1.00 1.22 H new ATOM 0 HB3 GLN A 69 -4.801 -11.831 -7.565 1.00 1.22 H new ATOM 0 HG2 GLN A 69 -6.363 -12.018 -9.631 1.00 1.32 H new ATOM 0 HG3 GLN A 69 -4.943 -11.629 -10.583 1.00 1.32 H new ATOM 0 HE21 GLN A 69 -6.797 -14.124 -9.540 1.00 1.43 H new ATOM 0 HE22 GLN A 69 -5.599 -15.423 -9.521 1.00 1.43 H new ATOM 845 N ARG A 70 -5.920 -9.767 -5.935 1.00 1.06 N ATOM 846 CA ARG A 70 -5.795 -9.319 -4.554 1.00 0.98 C ATOM 847 C ARG A 70 -4.387 -9.456 -3.988 1.00 0.93 C ATOM 848 O ARG A 70 -3.524 -10.100 -4.583 1.00 0.97 O ATOM 849 CB ARG A 70 -6.785 -10.089 -3.682 1.00 1.01 C ATOM 850 CG ARG A 70 -6.959 -9.532 -2.294 1.00 0.94 C ATOM 851 CD ARG A 70 -8.260 -10.018 -1.697 1.00 0.99 C ATOM 852 NE ARG A 70 -8.610 -9.272 -0.492 1.00 0.94 N ATOM 853 CZ ARG A 70 -9.808 -9.304 0.084 1.00 0.98 C ATOM 854 NH1 ARG A 70 -10.773 -10.051 -0.438 1.00 1.06 N ATOM 855 NH2 ARG A 70 -10.041 -8.588 1.177 1.00 0.94 N ATOM 0 H ARG A 70 -6.669 -10.444 -6.079 1.00 1.06 H new ATOM 0 HA ARG A 70 -6.020 -8.253 -4.548 1.00 0.98 H new ATOM 0 HB2 ARG A 70 -7.755 -10.101 -4.179 1.00 1.01 H new ATOM 0 HB3 ARG A 70 -6.453 -11.124 -3.605 1.00 1.01 H new ATOM 0 HG2 ARG A 70 -6.124 -9.838 -1.664 1.00 0.94 H new ATOM 0 HG3 ARG A 70 -6.950 -8.443 -2.327 1.00 0.94 H new ATOM 0 HD2 ARG A 70 -9.058 -9.918 -2.432 1.00 0.99 H new ATOM 0 HD3 ARG A 70 -8.178 -11.078 -1.458 1.00 0.99 H new ATOM 0 HE ARG A 70 -7.890 -8.689 -0.065 1.00 0.94 H new ATOM 0 HH11 ARG A 70 -10.595 -10.599 -1.280 1.00 1.06 H new ATOM 0 HH12 ARG A 70 -11.693 -10.077 0.002 1.00 1.06 H new ATOM 0 HH21 ARG A 70 -9.300 -8.012 1.577 1.00 0.94 H new ATOM 0 HH22 ARG A 70 -10.961 -8.614 1.617 1.00 0.94 H new ATOM 869 N ILE A 71 -4.161 -8.838 -2.831 1.00 0.85 N ATOM 870 CA ILE A 71 -2.859 -8.878 -2.175 1.00 0.81 C ATOM 871 C ILE A 71 -2.910 -9.556 -0.809 1.00 0.81 C ATOM 872 O ILE A 71 -3.696 -9.174 0.063 1.00 0.79 O ATOM 873 CB ILE A 71 -2.272 -7.459 -1.999 1.00 0.73 C ATOM 874 CG1 ILE A 71 -1.849 -6.907 -3.361 1.00 0.75 C ATOM 875 CG2 ILE A 71 -1.091 -7.496 -1.042 1.00 0.69 C ATOM 876 CD1 ILE A 71 -1.249 -5.515 -3.303 1.00 0.68 C ATOM 0 H ILE A 71 -4.867 -8.301 -2.327 1.00 0.85 H new ATOM 0 HA ILE A 71 -2.218 -9.466 -2.831 1.00 0.81 H new ATOM 0 HB ILE A 71 -3.032 -6.803 -1.576 1.00 0.73 H new ATOM 0 HG12 ILE A 71 -1.123 -7.586 -3.807 1.00 0.75 H new ATOM 0 HG13 ILE A 71 -2.717 -6.890 -4.020 1.00 0.75 H new ATOM 0 HG21 ILE A 71 -0.685 -6.491 -0.926 1.00 0.69 H new ATOM 0 HG22 ILE A 71 -1.420 -7.869 -0.072 1.00 0.69 H new ATOM 0 HG23 ILE A 71 -0.320 -8.155 -1.441 1.00 0.69 H new ATOM 0 HD11 ILE A 71 -0.975 -5.195 -4.308 1.00 0.68 H new ATOM 0 HD12 ILE A 71 -1.980 -4.821 -2.888 1.00 0.68 H new ATOM 0 HD13 ILE A 71 -0.361 -5.528 -2.671 1.00 0.68 H new ATOM 888 N ALA A 72 -2.053 -10.563 -0.643 1.00 0.85 N ATOM 889 CA ALA A 72 -1.962 -11.319 0.600 1.00 0.88 C ATOM 890 C ALA A 72 -1.452 -10.416 1.707 1.00 0.82 C ATOM 891 O ALA A 72 -0.724 -9.458 1.454 1.00 0.77 O ATOM 892 CB ALA A 72 -1.024 -12.517 0.427 1.00 0.95 C ATOM 0 H ALA A 72 -1.405 -10.875 -1.366 1.00 0.85 H new ATOM 0 HA ALA A 72 -2.953 -11.690 0.864 1.00 0.88 H new ATOM 0 HB1 ALA A 72 -0.966 -13.072 1.363 1.00 0.95 H new ATOM 0 HB2 ALA A 72 -1.407 -13.169 -0.358 1.00 0.95 H new ATOM 0 HB3 ALA A 72 -0.030 -12.164 0.152 1.00 0.95 H new ATOM 898 N ASP A 73 -1.836 -10.734 2.936 1.00 0.85 N ATOM 899 CA ASP A 73 -1.429 -9.951 4.088 1.00 0.81 C ATOM 900 C ASP A 73 0.045 -10.190 4.436 1.00 0.84 C ATOM 901 O ASP A 73 0.684 -9.358 5.082 1.00 0.81 O ATOM 902 CB ASP A 73 -2.317 -10.310 5.275 1.00 0.86 C ATOM 903 CG ASP A 73 -2.375 -9.212 6.303 1.00 0.83 C ATOM 904 OD1 ASP A 73 -2.771 -8.083 5.939 1.00 0.76 O ATOM 905 OD2 ASP A 73 -2.028 -9.478 7.475 1.00 0.88 O ATOM 0 H ASP A 73 -2.431 -11.532 3.158 1.00 0.85 H new ATOM 0 HA ASP A 73 -1.541 -8.894 3.848 1.00 0.81 H new ATOM 0 HB2 ASP A 73 -3.325 -10.524 4.919 1.00 0.86 H new ATOM 0 HB3 ASP A 73 -1.943 -11.221 5.742 1.00 0.86 H new ATOM 910 N ASN A 74 0.574 -11.328 3.996 1.00 0.90 N ATOM 911 CA ASN A 74 1.969 -11.694 4.246 1.00 0.94 C ATOM 912 C ASN A 74 2.810 -11.495 2.996 1.00 0.92 C ATOM 913 O ASN A 74 4.017 -11.730 3.005 1.00 0.95 O ATOM 914 CB ASN A 74 2.060 -13.150 4.694 1.00 1.03 C ATOM 915 CG ASN A 74 1.501 -13.366 6.085 1.00 1.07 C ATOM 916 OD1 ASN A 74 1.306 -14.502 6.519 1.00 1.14 O ATOM 917 ND2 ASN A 74 1.249 -12.273 6.797 1.00 1.02 N ATOM 0 H ASN A 74 0.053 -12.021 3.459 1.00 0.90 H new ATOM 0 HA ASN A 74 2.353 -11.048 5.035 1.00 0.94 H new ATOM 0 HB2 ASN A 74 1.519 -13.779 3.987 1.00 1.03 H new ATOM 0 HB3 ASN A 74 3.102 -13.469 4.671 1.00 1.03 H new ATOM 0 HD21 ASN A 74 0.879 -12.355 7.744 1.00 1.02 H new ATOM 0 HD22 ASN A 74 1.426 -11.352 6.397 1.00 1.02 H new ATOM 924 N HIS A 75 2.157 -11.062 1.922 1.00 0.88 N ATOM 925 CA HIS A 75 2.819 -10.817 0.646 1.00 0.87 C ATOM 926 C HIS A 75 4.022 -9.882 0.796 1.00 0.84 C ATOM 927 O HIS A 75 4.221 -9.273 1.847 1.00 0.82 O ATOM 928 CB HIS A 75 1.823 -10.201 -0.344 1.00 0.83 C ATOM 929 CG HIS A 75 1.678 -10.974 -1.619 1.00 0.89 C ATOM 930 ND1 HIS A 75 2.752 -11.293 -2.422 1.00 0.94 N ATOM 931 CD2 HIS A 75 0.586 -11.493 -2.226 1.00 0.93 C ATOM 932 CE1 HIS A 75 2.326 -11.980 -3.468 1.00 1.00 C ATOM 933 NE2 HIS A 75 1.016 -12.115 -3.373 1.00 0.99 N ATOM 0 H HIS A 75 1.155 -10.871 1.912 1.00 0.88 H new ATOM 0 HA HIS A 75 3.180 -11.776 0.274 1.00 0.87 H new ATOM 0 HB2 HIS A 75 0.848 -10.125 0.137 1.00 0.83 H new ATOM 0 HB3 HIS A 75 2.141 -9.186 -0.580 1.00 0.83 H new ATOM 0 HD2 HIS A 75 -0.433 -11.430 -1.875 1.00 0.93 H new ATOM 0 HE1 HIS A 75 2.945 -12.365 -4.265 1.00 1.00 H new ATOM 0 HE2 HIS A 75 0.420 -12.602 -4.042 1.00 0.99 H new ATOM 941 N THR A 76 4.812 -9.778 -0.270 1.00 0.86 N ATOM 942 CA THR A 76 5.998 -8.926 -0.312 1.00 0.86 C ATOM 943 C THR A 76 6.558 -9.091 -1.711 1.00 0.90 C ATOM 944 O THR A 76 6.456 -10.173 -2.279 1.00 0.95 O ATOM 945 CB THR A 76 7.074 -9.375 0.704 1.00 0.91 C ATOM 946 OG1 THR A 76 6.588 -9.190 2.038 1.00 0.89 O ATOM 947 CG2 THR A 76 8.353 -8.566 0.530 1.00 0.92 C ATOM 0 H THR A 76 4.645 -10.288 -1.138 1.00 0.86 H new ATOM 0 HA THR A 76 5.733 -7.898 -0.064 1.00 0.86 H new ATOM 0 HB THR A 76 7.291 -10.428 0.526 1.00 0.91 H new ATOM 0 HG1 THR A 76 5.681 -8.819 2.007 1.00 0.89 H new ATOM 0 HG21 THR A 76 9.096 -8.899 1.255 1.00 0.92 H new ATOM 0 HG22 THR A 76 8.740 -8.710 -0.479 1.00 0.92 H new ATOM 0 HG23 THR A 76 8.139 -7.509 0.689 1.00 0.92 H new ATOM 955 N PRO A 77 7.147 -8.025 -2.288 1.00 0.88 N ATOM 956 CA PRO A 77 7.719 -8.102 -3.638 1.00 0.94 C ATOM 957 C PRO A 77 8.564 -9.362 -3.800 1.00 1.02 C ATOM 958 O PRO A 77 8.946 -9.741 -4.909 1.00 1.08 O ATOM 959 CB PRO A 77 8.543 -6.826 -3.730 1.00 0.93 C ATOM 960 CG PRO A 77 7.707 -5.865 -2.966 1.00 0.84 C ATOM 961 CD PRO A 77 7.300 -6.666 -1.741 1.00 0.83 C ATOM 0 HA PRO A 77 6.975 -8.171 -4.432 1.00 0.94 H new ATOM 0 HB2 PRO A 77 9.533 -6.946 -3.289 1.00 0.93 H new ATOM 0 HB3 PRO A 77 8.690 -6.508 -4.762 1.00 0.93 H new ATOM 0 HG2 PRO A 77 8.266 -4.970 -2.695 1.00 0.84 H new ATOM 0 HG3 PRO A 77 6.841 -5.538 -3.541 1.00 0.84 H new ATOM 0 HD2 PRO A 77 8.058 -6.626 -0.959 1.00 0.83 H new ATOM 0 HD3 PRO A 77 6.372 -6.297 -1.304 1.00 0.83 H new ATOM 969 N LYS A 78 8.852 -9.995 -2.665 1.00 1.03 N ATOM 970 CA LYS A 78 9.616 -11.230 -2.619 1.00 1.11 C ATOM 971 C LYS A 78 8.810 -12.269 -3.393 1.00 1.14 C ATOM 972 O LYS A 78 9.348 -13.261 -3.883 1.00 1.21 O ATOM 973 CB LYS A 78 9.786 -11.672 -1.161 1.00 1.12 C ATOM 974 CG LYS A 78 10.506 -12.999 -0.962 1.00 1.20 C ATOM 975 CD LYS A 78 10.521 -13.393 0.510 1.00 1.22 C ATOM 976 CE LYS A 78 11.136 -14.768 0.719 1.00 1.31 C ATOM 977 NZ LYS A 78 11.067 -15.199 2.146 1.00 1.33 N ATOM 0 H LYS A 78 8.558 -9.660 -1.748 1.00 1.03 H new ATOM 0 HA LYS A 78 10.608 -11.105 -3.053 1.00 1.11 H new ATOM 0 HB2 LYS A 78 10.334 -10.897 -0.625 1.00 1.12 H new ATOM 0 HB3 LYS A 78 8.800 -11.740 -0.702 1.00 1.12 H new ATOM 0 HG2 LYS A 78 10.013 -13.776 -1.546 1.00 1.20 H new ATOM 0 HG3 LYS A 78 11.528 -12.922 -1.333 1.00 1.20 H new ATOM 0 HD2 LYS A 78 11.083 -12.653 1.079 1.00 1.22 H new ATOM 0 HD3 LYS A 78 9.503 -13.387 0.898 1.00 1.22 H new ATOM 0 HE2 LYS A 78 10.618 -15.496 0.095 1.00 1.31 H new ATOM 0 HE3 LYS A 78 12.176 -14.753 0.394 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 11.497 -16.141 2.245 1.00 1.33 H new ATOM 0 HZ2 LYS A 78 11.583 -14.519 2.739 1.00 1.33 H new ATOM 0 HZ3 LYS A 78 10.073 -15.238 2.449 1.00 1.33 H new ATOM 991 N GLU A 79 7.510 -12.014 -3.504 1.00 1.09 N ATOM 992 CA GLU A 79 6.593 -12.902 -4.201 1.00 1.13 C ATOM 993 C GLU A 79 5.984 -12.243 -5.436 1.00 1.12 C ATOM 994 O GLU A 79 5.708 -12.914 -6.430 1.00 1.18 O ATOM 995 CB GLU A 79 5.467 -13.326 -3.257 1.00 1.10 C ATOM 996 CG GLU A 79 5.942 -13.856 -1.918 1.00 1.12 C ATOM 997 CD GLU A 79 6.811 -15.087 -2.057 1.00 1.20 C ATOM 998 OE1 GLU A 79 6.349 -16.074 -2.669 1.00 1.25 O ATOM 999 OE2 GLU A 79 7.953 -15.069 -1.552 1.00 1.23 O ATOM 0 H GLU A 79 7.065 -11.184 -3.112 1.00 1.09 H new ATOM 0 HA GLU A 79 7.166 -13.770 -4.527 1.00 1.13 H new ATOM 0 HB2 GLU A 79 4.812 -12.472 -3.085 1.00 1.10 H new ATOM 0 HB3 GLU A 79 4.868 -14.094 -3.747 1.00 1.10 H new ATOM 0 HG2 GLU A 79 6.502 -13.077 -1.400 1.00 1.12 H new ATOM 0 HG3 GLU A 79 5.078 -14.093 -1.298 1.00 1.12 H new ATOM 1006 N LEU A 80 5.778 -10.928 -5.371 1.00 1.06 N ATOM 1007 CA LEU A 80 5.177 -10.176 -6.474 1.00 1.05 C ATOM 1008 C LEU A 80 6.168 -9.640 -7.493 1.00 1.10 C ATOM 1009 O LEU A 80 5.769 -9.184 -8.566 1.00 1.12 O ATOM 1010 CB LEU A 80 4.353 -9.014 -5.926 1.00 0.97 C ATOM 1011 CG LEU A 80 3.078 -9.416 -5.192 1.00 0.94 C ATOM 1012 CD1 LEU A 80 2.397 -8.194 -4.598 1.00 0.85 C ATOM 1013 CD2 LEU A 80 2.159 -10.123 -6.168 1.00 1.00 C ATOM 0 H LEU A 80 6.020 -10.358 -4.561 1.00 1.06 H new ATOM 0 HA LEU A 80 4.551 -10.895 -7.003 1.00 1.05 H new ATOM 0 HB2 LEU A 80 4.978 -8.434 -5.247 1.00 0.97 H new ATOM 0 HB3 LEU A 80 4.086 -8.356 -6.753 1.00 0.97 H new ATOM 0 HG LEU A 80 3.322 -10.089 -4.370 1.00 0.94 H new ATOM 0 HD11 LEU A 80 1.489 -8.500 -4.078 1.00 0.85 H new ATOM 0 HD12 LEU A 80 3.072 -7.708 -3.894 1.00 0.85 H new ATOM 0 HD13 LEU A 80 2.141 -7.497 -5.396 1.00 0.85 H new ATOM 0 HD21 LEU A 80 1.242 -10.417 -5.657 1.00 1.00 H new ATOM 0 HD22 LEU A 80 1.916 -9.451 -6.991 1.00 1.00 H new ATOM 0 HD23 LEU A 80 2.657 -11.010 -6.559 1.00 1.00 H new ATOM 1025 N GLY A 81 7.451 -9.687 -7.156 1.00 1.11 N ATOM 1026 CA GLY A 81 8.465 -9.193 -8.069 1.00 1.16 C ATOM 1027 C GLY A 81 8.145 -7.793 -8.554 1.00 1.13 C ATOM 1028 O GLY A 81 8.504 -7.405 -9.664 1.00 1.18 O ATOM 0 H GLY A 81 7.806 -10.055 -6.274 1.00 1.11 H new ATOM 0 HA2 GLY A 81 9.435 -9.193 -7.571 1.00 1.16 H new ATOM 0 HA3 GLY A 81 8.545 -9.865 -8.923 1.00 1.16 H new ATOM 1032 N MET A 82 7.458 -7.032 -7.712 1.00 1.05 N ATOM 1033 CA MET A 82 7.091 -5.673 -8.062 1.00 1.02 C ATOM 1034 C MET A 82 8.340 -4.824 -8.258 1.00 1.05 C ATOM 1035 O MET A 82 9.125 -4.646 -7.328 1.00 1.02 O ATOM 1036 CB MET A 82 6.230 -5.058 -6.955 1.00 0.93 C ATOM 1037 CG MET A 82 4.969 -5.843 -6.635 1.00 0.90 C ATOM 1038 SD MET A 82 3.864 -4.974 -5.493 1.00 0.80 S ATOM 1039 CE MET A 82 4.450 -5.570 -3.911 1.00 0.76 C ATOM 0 H MET A 82 7.147 -7.333 -6.788 1.00 1.05 H new ATOM 0 HA MET A 82 6.522 -5.698 -8.992 1.00 1.02 H new ATOM 0 HB2 MET A 82 6.830 -4.972 -6.049 1.00 0.93 H new ATOM 0 HB3 MET A 82 5.950 -4.046 -7.249 1.00 0.93 H new ATOM 0 HG2 MET A 82 4.433 -6.053 -7.561 1.00 0.90 H new ATOM 0 HG3 MET A 82 5.246 -6.804 -6.203 1.00 0.90 H new ATOM 0 HE1 MET A 82 3.606 -5.688 -3.231 1.00 0.76 H new ATOM 0 HE2 MET A 82 4.945 -6.532 -4.045 1.00 0.76 H new ATOM 0 HE3 MET A 82 5.156 -4.854 -3.491 1.00 0.76 H new ATOM 1049 N GLU A 83 8.530 -4.309 -9.471 1.00 1.11 N ATOM 1050 CA GLU A 83 9.681 -3.457 -9.764 1.00 1.14 C ATOM 1051 C GLU A 83 9.433 -2.104 -9.103 1.00 1.08 C ATOM 1052 O GLU A 83 8.731 -2.019 -8.095 1.00 1.01 O ATOM 1053 CB GLU A 83 9.842 -3.287 -11.272 1.00 1.23 C ATOM 1054 CG GLU A 83 11.117 -3.956 -11.872 1.00 1.31 C ATOM 1055 CD GLU A 83 11.230 -3.832 -13.396 1.00 1.40 C ATOM 1056 OE1 GLU A 83 10.735 -4.737 -14.114 1.00 1.44 O ATOM 1057 OE2 GLU A 83 11.842 -2.846 -13.877 1.00 1.43 O ATOM 0 H GLU A 83 7.906 -4.465 -10.263 1.00 1.11 H new ATOM 0 HA GLU A 83 10.596 -3.907 -9.380 1.00 1.14 H new ATOM 0 HB2 GLU A 83 8.964 -3.702 -11.766 1.00 1.23 H new ATOM 0 HB3 GLU A 83 9.864 -2.222 -11.503 1.00 1.23 H new ATOM 0 HG2 GLU A 83 11.999 -3.507 -11.415 1.00 1.31 H new ATOM 0 HG3 GLU A 83 11.121 -5.012 -11.603 1.00 1.31 H new ATOM 1064 N GLU A 84 10.014 -1.046 -9.656 1.00 1.12 N ATOM 1065 CA GLU A 84 9.803 0.283 -9.096 1.00 1.08 C ATOM 1066 C GLU A 84 8.676 0.908 -9.903 1.00 1.09 C ATOM 1067 O GLU A 84 8.292 0.377 -10.948 1.00 1.14 O ATOM 1068 CB GLU A 84 11.061 1.150 -9.226 1.00 1.14 C ATOM 1069 CG GLU A 84 12.364 0.494 -8.782 1.00 1.17 C ATOM 1070 CD GLU A 84 13.026 -0.315 -9.891 1.00 1.25 C ATOM 1071 OE1 GLU A 84 13.347 0.274 -10.947 1.00 1.31 O ATOM 1072 OE2 GLU A 84 13.230 -1.534 -9.706 1.00 1.25 O ATOM 0 H GLU A 84 10.622 -1.079 -10.474 1.00 1.12 H new ATOM 0 HA GLU A 84 9.565 0.214 -8.034 1.00 1.08 H new ATOM 0 HB2 GLU A 84 11.165 1.454 -10.268 1.00 1.14 H new ATOM 0 HB3 GLU A 84 10.916 2.059 -8.642 1.00 1.14 H new ATOM 0 HG2 GLU A 84 13.055 1.264 -8.439 1.00 1.17 H new ATOM 0 HG3 GLU A 84 12.166 -0.158 -7.932 1.00 1.17 H new ATOM 1079 N GLU A 85 8.141 2.023 -9.420 1.00 1.05 N ATOM 1080 CA GLU A 85 7.065 2.729 -10.117 1.00 1.07 C ATOM 1081 C GLU A 85 5.754 1.945 -10.153 1.00 1.04 C ATOM 1082 O GLU A 85 4.756 2.419 -10.695 1.00 1.06 O ATOM 1083 CB GLU A 85 7.507 3.058 -11.550 1.00 1.17 C ATOM 1084 CG GLU A 85 6.531 3.920 -12.335 1.00 1.21 C ATOM 1085 CD GLU A 85 6.390 5.309 -11.753 1.00 1.19 C ATOM 1086 OE1 GLU A 85 7.396 6.050 -11.743 1.00 1.22 O ATOM 1087 OE2 GLU A 85 5.278 5.657 -11.303 1.00 1.14 O ATOM 0 H GLU A 85 8.433 2.461 -8.547 1.00 1.05 H new ATOM 0 HA GLU A 85 6.872 3.643 -9.555 1.00 1.07 H new ATOM 0 HB2 GLU A 85 8.470 3.567 -11.511 1.00 1.17 H new ATOM 0 HB3 GLU A 85 7.662 2.125 -12.091 1.00 1.17 H new ATOM 0 HG2 GLU A 85 6.867 3.995 -13.369 1.00 1.21 H new ATOM 0 HG3 GLU A 85 5.555 3.435 -12.352 1.00 1.21 H new ATOM 1094 N ASP A 86 5.754 0.747 -9.577 1.00 1.00 N ATOM 1095 CA ASP A 86 4.553 -0.081 -9.554 1.00 0.97 C ATOM 1096 C ASP A 86 3.343 0.692 -9.066 1.00 0.92 C ATOM 1097 O ASP A 86 3.452 1.844 -8.642 1.00 0.90 O ATOM 1098 CB ASP A 86 4.757 -1.301 -8.655 1.00 0.93 C ATOM 1099 CG ASP A 86 5.100 -2.543 -9.436 1.00 1.00 C ATOM 1100 OD1 ASP A 86 4.297 -2.932 -10.309 1.00 1.05 O ATOM 1101 OD2 ASP A 86 6.170 -3.134 -9.181 1.00 1.01 O ATOM 0 H ASP A 86 6.566 0.330 -9.123 1.00 1.00 H new ATOM 0 HA ASP A 86 4.371 -0.402 -10.580 1.00 0.97 H new ATOM 0 HB2 ASP A 86 5.554 -1.093 -7.941 1.00 0.93 H new ATOM 0 HB3 ASP A 86 3.850 -1.478 -8.077 1.00 0.93 H new ATOM 1106 N VAL A 87 2.184 0.046 -9.125 1.00 0.92 N ATOM 1107 CA VAL A 87 0.944 0.667 -8.688 1.00 0.88 C ATOM 1108 C VAL A 87 0.089 -0.319 -7.913 1.00 0.83 C ATOM 1109 O VAL A 87 0.109 -1.518 -8.182 1.00 0.86 O ATOM 1110 CB VAL A 87 0.123 1.183 -9.892 1.00 0.97 C ATOM 1111 CG1 VAL A 87 -1.236 1.677 -9.428 1.00 0.94 C ATOM 1112 CG2 VAL A 87 0.877 2.298 -10.595 1.00 1.02 C ATOM 0 H VAL A 87 2.080 -0.908 -9.472 1.00 0.92 H new ATOM 0 HA VAL A 87 1.216 1.505 -8.046 1.00 0.88 H new ATOM 0 HB VAL A 87 -0.027 0.363 -10.594 1.00 0.97 H new ATOM 0 HG11 VAL A 87 -1.804 2.038 -10.285 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.777 0.859 -8.952 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -1.103 2.489 -8.713 1.00 0.94 H new ATOM 0 HG21 VAL A 87 0.291 2.656 -11.442 1.00 1.02 H new ATOM 0 HG22 VAL A 87 1.046 3.119 -9.898 1.00 1.02 H new ATOM 0 HG23 VAL A 87 1.836 1.921 -10.950 1.00 1.02 H new ATOM 1122 N ILE A 88 -0.644 0.194 -6.933 1.00 0.76 N ATOM 1123 CA ILE A 88 -1.542 -0.625 -6.137 1.00 0.72 C ATOM 1124 C ILE A 88 -2.881 0.090 -6.096 1.00 0.73 C ATOM 1125 O ILE A 88 -2.939 1.312 -5.948 1.00 0.72 O ATOM 1126 CB ILE A 88 -1.051 -0.826 -4.684 1.00 0.62 C ATOM 1127 CG1 ILE A 88 0.228 -1.664 -4.663 1.00 0.63 C ATOM 1128 CG2 ILE A 88 -2.117 -1.550 -3.874 1.00 0.60 C ATOM 1129 CD1 ILE A 88 0.705 -2.025 -3.263 1.00 0.56 C ATOM 0 H ILE A 88 -0.632 1.180 -6.671 1.00 0.76 H new ATOM 0 HA ILE A 88 -1.601 -1.613 -6.594 1.00 0.72 H new ATOM 0 HB ILE A 88 -0.852 0.155 -4.252 1.00 0.62 H new ATOM 0 HG12 ILE A 88 0.059 -2.582 -5.227 1.00 0.63 H new ATOM 0 HG13 ILE A 88 1.018 -1.116 -5.176 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -1.765 -1.689 -2.852 1.00 0.60 H new ATOM 0 HG22 ILE A 88 -3.032 -0.958 -3.866 1.00 0.60 H new ATOM 0 HG23 ILE A 88 -2.318 -2.522 -4.324 1.00 0.60 H new ATOM 0 HD11 ILE A 88 1.616 -2.619 -3.331 1.00 0.56 H new ATOM 0 HD12 ILE A 88 0.907 -1.113 -2.701 1.00 0.56 H new ATOM 0 HD13 ILE A 88 -0.067 -2.602 -2.753 1.00 0.56 H new ATOM 1141 N GLU A 89 -3.953 -0.680 -6.244 1.00 0.77 N ATOM 1142 CA GLU A 89 -5.299 -0.132 -6.214 1.00 0.80 C ATOM 1143 C GLU A 89 -5.944 -0.492 -4.886 1.00 0.74 C ATOM 1144 O GLU A 89 -5.733 -1.586 -4.367 1.00 0.72 O ATOM 1145 CB GLU A 89 -6.143 -0.716 -7.352 1.00 0.90 C ATOM 1146 CG GLU A 89 -6.621 0.301 -8.378 1.00 0.98 C ATOM 1147 CD GLU A 89 -5.553 0.661 -9.393 1.00 1.02 C ATOM 1148 OE1 GLU A 89 -5.125 -0.248 -10.141 1.00 1.06 O ATOM 1149 OE2 GLU A 89 -5.142 1.843 -9.443 1.00 1.01 O ATOM 0 H GLU A 89 -3.913 -1.689 -6.386 1.00 0.77 H new ATOM 0 HA GLU A 89 -5.245 0.950 -6.334 1.00 0.80 H new ATOM 0 HB2 GLU A 89 -5.558 -1.480 -7.864 1.00 0.90 H new ATOM 0 HB3 GLU A 89 -7.012 -1.214 -6.922 1.00 0.90 H new ATOM 0 HG2 GLU A 89 -7.491 -0.098 -8.899 1.00 0.98 H new ATOM 0 HG3 GLU A 89 -6.945 1.205 -7.863 1.00 0.98 H new ATOM 1156 N VAL A 90 -6.714 0.435 -4.332 1.00 0.73 N ATOM 1157 CA VAL A 90 -7.403 0.182 -3.075 1.00 0.69 C ATOM 1158 C VAL A 90 -8.882 0.369 -3.358 1.00 0.77 C ATOM 1159 O VAL A 90 -9.278 1.336 -4.010 1.00 0.82 O ATOM 1160 CB VAL A 90 -6.993 1.173 -1.960 1.00 0.61 C ATOM 1161 CG1 VAL A 90 -7.562 0.718 -0.621 1.00 0.59 C ATOM 1162 CG2 VAL A 90 -5.488 1.276 -1.879 1.00 0.54 C ATOM 0 H VAL A 90 -6.876 1.360 -4.729 1.00 0.73 H new ATOM 0 HA VAL A 90 -7.151 -0.818 -2.724 1.00 0.69 H new ATOM 0 HB VAL A 90 -7.397 2.157 -2.199 1.00 0.61 H new ATOM 0 HG11 VAL A 90 -7.268 1.422 0.157 1.00 0.59 H new ATOM 0 HG12 VAL A 90 -8.650 0.678 -0.682 1.00 0.59 H new ATOM 0 HG13 VAL A 90 -7.176 -0.272 -0.379 1.00 0.59 H new ATOM 0 HG21 VAL A 90 -5.213 1.977 -1.090 1.00 0.54 H new ATOM 0 HG22 VAL A 90 -5.068 0.295 -1.656 1.00 0.54 H new ATOM 0 HG23 VAL A 90 -5.096 1.631 -2.832 1.00 0.54 H new ATOM 1172 N TYR A 91 -9.698 -0.564 -2.887 1.00 0.80 N ATOM 1173 CA TYR A 91 -11.126 -0.462 -3.098 1.00 0.88 C ATOM 1174 C TYR A 91 -11.845 -0.553 -1.770 1.00 0.87 C ATOM 1175 O TYR A 91 -11.485 -1.360 -0.918 1.00 0.83 O ATOM 1176 CB TYR A 91 -11.621 -1.578 -4.015 1.00 0.96 C ATOM 1177 CG TYR A 91 -11.071 -1.518 -5.421 1.00 1.00 C ATOM 1178 CD1 TYR A 91 -9.767 -1.923 -5.699 1.00 0.96 C ATOM 1179 CD2 TYR A 91 -11.859 -1.055 -6.474 1.00 1.08 C ATOM 1180 CE1 TYR A 91 -9.259 -1.874 -6.999 1.00 1.01 C ATOM 1181 CE2 TYR A 91 -11.361 -1.001 -7.777 1.00 1.13 C ATOM 1182 CZ TYR A 91 -10.060 -1.412 -8.034 1.00 1.10 C ATOM 1183 OH TYR A 91 -9.562 -1.360 -9.319 1.00 1.15 O ATOM 0 H TYR A 91 -9.397 -1.387 -2.364 1.00 0.80 H new ATOM 0 HA TYR A 91 -11.335 0.498 -3.570 1.00 0.88 H new ATOM 0 HB2 TYR A 91 -11.355 -2.539 -3.574 1.00 0.96 H new ATOM 0 HB3 TYR A 91 -12.709 -1.538 -4.061 1.00 0.96 H new ATOM 0 HD1 TYR A 91 -9.139 -2.281 -4.896 1.00 0.96 H new ATOM 0 HD2 TYR A 91 -12.871 -0.733 -6.278 1.00 1.08 H new ATOM 0 HE1 TYR A 91 -8.247 -2.194 -7.198 1.00 1.01 H new ATOM 0 HE2 TYR A 91 -11.985 -0.641 -8.582 1.00 1.13 H new ATOM 0 HH TYR A 91 -10.252 -1.014 -9.923 1.00 1.15 H new ATOM 1193 N GLN A 92 -12.848 0.300 -1.593 1.00 0.91 N ATOM 1194 CA GLN A 92 -13.646 0.302 -0.377 1.00 0.92 C ATOM 1195 C GLN A 92 -14.244 -1.099 -0.297 1.00 0.97 C ATOM 1196 O GLN A 92 -14.721 -1.631 -1.306 1.00 1.03 O ATOM 1197 CB GLN A 92 -14.741 1.370 -0.486 1.00 0.98 C ATOM 1198 CG GLN A 92 -15.848 1.311 0.562 1.00 1.02 C ATOM 1199 CD GLN A 92 -15.359 1.519 1.983 1.00 0.97 C ATOM 1200 OE1 GLN A 92 -14.369 2.216 2.220 1.00 0.91 O ATOM 1201 NE2 GLN A 92 -16.070 0.932 2.942 1.00 1.01 N ATOM 0 H GLN A 92 -13.127 1.000 -2.280 1.00 0.91 H new ATOM 0 HA GLN A 92 -13.064 0.535 0.515 1.00 0.92 H new ATOM 0 HB2 GLN A 92 -14.269 2.351 -0.431 1.00 0.98 H new ATOM 0 HB3 GLN A 92 -15.199 1.292 -1.472 1.00 0.98 H new ATOM 0 HG2 GLN A 92 -16.595 2.070 0.330 1.00 1.02 H new ATOM 0 HG3 GLN A 92 -16.346 0.343 0.497 1.00 1.02 H new ATOM 0 HE21 GLN A 92 -16.882 0.364 2.700 1.00 1.01 H new ATOM 0 HE22 GLN A 92 -15.803 1.050 3.919 1.00 1.01 H new ATOM 1210 N GLU A 93 -14.195 -1.712 0.880 1.00 0.95 N ATOM 1211 CA GLU A 93 -14.734 -3.056 1.020 1.00 1.00 C ATOM 1212 C GLU A 93 -16.247 -3.004 1.148 1.00 1.09 C ATOM 1213 O GLU A 93 -16.806 -2.107 1.785 1.00 1.10 O ATOM 1214 CB GLU A 93 -14.121 -3.776 2.224 1.00 0.97 C ATOM 1215 CG GLU A 93 -14.295 -5.292 2.159 1.00 1.02 C ATOM 1216 CD GLU A 93 -13.668 -5.901 0.906 1.00 1.02 C ATOM 1217 OE1 GLU A 93 -12.431 -6.111 0.895 1.00 0.96 O ATOM 1218 OE2 GLU A 93 -14.415 -6.158 -0.067 1.00 1.08 O ATOM 0 H GLU A 93 -13.798 -1.311 1.730 1.00 0.95 H new ATOM 0 HA GLU A 93 -14.474 -3.620 0.124 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -13.059 -3.539 2.281 1.00 0.97 H new ATOM 0 HB3 GLU A 93 -14.581 -3.401 3.138 1.00 0.97 H new ATOM 0 HG2 GLU A 93 -13.845 -5.744 3.043 1.00 1.02 H new ATOM 0 HG3 GLU A 93 -15.358 -5.534 2.184 1.00 1.02 H new ATOM 1225 N GLN A 94 -16.897 -3.987 0.533 1.00 1.16 N ATOM 1226 CA GLN A 94 -18.349 -4.072 0.518 1.00 1.25 C ATOM 1227 C GLN A 94 -18.769 -5.526 0.382 1.00 1.31 C ATOM 1228 O GLN A 94 -17.931 -6.401 0.157 1.00 1.28 O ATOM 1229 CB GLN A 94 -18.861 -3.301 -0.684 1.00 1.29 C ATOM 1230 CG GLN A 94 -18.332 -3.882 -1.982 1.00 1.30 C ATOM 1231 CD GLN A 94 -18.595 -2.999 -3.168 1.00 1.33 C ATOM 1232 OE1 GLN A 94 -18.034 -1.905 -3.286 1.00 1.29 O ATOM 1233 NE2 GLN A 94 -19.455 -3.466 -4.065 1.00 1.42 N ATOM 0 H GLN A 94 -16.431 -4.744 0.033 1.00 1.16 H new ATOM 0 HA GLN A 94 -18.756 -3.659 1.441 1.00 1.25 H new ATOM 0 HB2 GLN A 94 -19.951 -3.320 -0.693 1.00 1.29 H new ATOM 0 HB3 GLN A 94 -18.561 -2.256 -0.603 1.00 1.29 H new ATOM 0 HG2 GLN A 94 -17.259 -4.047 -1.889 1.00 1.30 H new ATOM 0 HG3 GLN A 94 -18.791 -4.856 -2.152 1.00 1.30 H new ATOM 0 HE21 GLN A 94 -19.894 -4.376 -3.925 1.00 1.42 H new ATOM 0 HE22 GLN A 94 -19.677 -2.915 -4.894 1.00 1.42 H new ATOM 1242 N THR A 95 -20.075 -5.766 0.501 1.00 1.39 N ATOM 1243 CA THR A 95 -20.659 -7.100 0.381 1.00 1.45 C ATOM 1244 C THR A 95 -22.038 -6.955 -0.258 1.00 1.54 C ATOM 1245 O THR A 95 -22.574 -5.850 -0.342 1.00 1.55 O ATOM 1246 CB THR A 95 -20.841 -7.771 1.757 1.00 1.47 C ATOM 1247 OG1 THR A 95 -21.764 -7.006 2.544 1.00 1.49 O ATOM 1248 CG2 THR A 95 -19.510 -7.858 2.492 1.00 1.39 C ATOM 0 H THR A 95 -20.761 -5.034 0.685 1.00 1.39 H new ATOM 0 HA THR A 95 -19.989 -7.717 -0.218 1.00 1.45 H new ATOM 0 HB THR A 95 -21.226 -8.779 1.603 1.00 1.47 H new ATOM 0 HG1 THR A 95 -21.881 -7.433 3.418 1.00 1.49 H new ATOM 0 HG21 THR A 95 -19.660 -8.335 3.461 1.00 1.39 H new ATOM 0 HG22 THR A 95 -18.807 -8.447 1.903 1.00 1.39 H new ATOM 0 HG23 THR A 95 -19.109 -6.855 2.639 1.00 1.39 H new ATOM 1256 N GLY A 96 -22.610 -8.069 -0.706 1.00 1.61 N ATOM 1257 CA GLY A 96 -23.928 -8.017 -1.320 1.00 1.70 C ATOM 1258 C GLY A 96 -24.997 -7.618 -0.321 1.00 1.74 C ATOM 1259 O GLY A 96 -24.692 -7.179 0.788 1.00 1.69 O ATOM 0 H GLY A 96 -22.191 -8.998 -0.657 1.00 1.61 H new ATOM 0 HA2 GLY A 96 -23.917 -7.305 -2.145 1.00 1.70 H new ATOM 0 HA3 GLY A 96 -24.171 -8.992 -1.743 1.00 1.70 H new ATOM 1263 N GLY A 97 -26.257 -7.768 -0.712 1.00 1.82 N ATOM 1264 CA GLY A 97 -27.387 -7.429 0.155 1.00 1.87 C ATOM 1265 C GLY A 97 -28.608 -8.250 -0.253 1.00 1.97 C ATOM 1266 O GLY A 97 -28.568 -8.971 -1.253 1.00 2.00 O ATOM 0 H GLY A 97 -26.526 -8.124 -1.629 1.00 1.82 H new ATOM 0 HA2 GLY A 97 -27.133 -7.629 1.196 1.00 1.87 H new ATOM 0 HA3 GLY A 97 -27.610 -6.365 0.080 1.00 1.87 H new TER 1270 GLY A 97 ATOM 1271 N ASP B2705 14.875 -9.194 10.383 1.00 4.63 N ATOM 1272 CA ASP B2705 13.424 -8.980 10.620 1.00 4.28 C ATOM 1273 C ASP B2705 13.177 -7.671 11.361 1.00 3.25 C ATOM 1274 O ASP B2705 12.139 -7.034 11.181 1.00 3.36 O ATOM 1275 CB ASP B2705 12.841 -10.147 11.417 1.00 4.99 C ATOM 1276 CG ASP B2705 12.918 -11.458 10.661 1.00 5.76 C ATOM 1277 OD1 ASP B2705 11.962 -11.774 9.922 1.00 6.28 O ATOM 1278 OD2 ASP B2705 13.937 -12.167 10.803 1.00 6.16 O ATOM 0 HA ASP B2705 12.929 -8.924 9.651 1.00 4.28 H new ATOM 0 HB2 ASP B2705 13.378 -10.243 12.361 1.00 4.99 H new ATOM 0 HB3 ASP B2705 11.801 -9.932 11.662 1.00 4.99 H new ATOM 1285 N ASN B2706 14.133 -7.277 12.198 1.00 2.76 N ATOM 1286 CA ASN B2706 14.024 -6.036 12.962 1.00 2.39 C ATOM 1287 C ASN B2706 14.729 -4.895 12.229 1.00 1.84 C ATOM 1288 O ASN B2706 14.711 -3.746 12.673 1.00 2.37 O ATOM 1289 CB ASN B2706 14.633 -6.222 14.357 1.00 2.90 C ATOM 1290 CG ASN B2706 14.171 -5.164 15.344 1.00 3.58 C ATOM 1291 OD1 ASN B2706 13.052 -4.660 15.255 1.00 3.87 O ATOM 1292 ND2 ASN B2706 15.036 -4.825 16.293 1.00 4.39 N ATOM 0 H ASN B2706 14.993 -7.799 12.365 1.00 2.76 H new ATOM 0 HA ASN B2706 12.969 -5.783 13.067 1.00 2.39 H new ATOM 0 HB2 ASN B2706 14.367 -7.208 14.737 1.00 2.90 H new ATOM 0 HB3 ASN B2706 15.720 -6.193 14.281 1.00 2.90 H new ATOM 0 HD21 ASN B2706 14.783 -4.121 16.986 1.00 4.39 H new ATOM 0 HD22 ASN B2706 15.954 -5.269 16.329 1.00 4.39 H new ATOM 1299 N GLU B2707 15.338 -5.226 11.094 1.00 1.74 N ATOM 1300 CA GLU B2707 16.063 -4.248 10.288 1.00 2.20 C ATOM 1301 C GLU B2707 15.170 -3.658 9.193 1.00 1.81 C ATOM 1302 O GLU B2707 15.654 -2.975 8.289 1.00 2.28 O ATOM 1303 CB GLU B2707 17.304 -4.892 9.654 1.00 3.18 C ATOM 1304 CG GLU B2707 18.186 -5.656 10.637 1.00 3.78 C ATOM 1305 CD GLU B2707 17.750 -7.100 10.821 1.00 3.83 C ATOM 1306 OE1 GLU B2707 17.872 -7.884 9.858 1.00 3.75 O ATOM 1307 OE2 GLU B2707 17.280 -7.443 11.926 1.00 4.39 O ATOM 0 H GLU B2707 15.344 -6.171 10.709 1.00 1.74 H new ATOM 0 HA GLU B2707 16.375 -3.440 10.949 1.00 2.20 H new ATOM 0 HB2 GLU B2707 16.983 -5.574 8.866 1.00 3.18 H new ATOM 0 HB3 GLU B2707 17.900 -4.113 9.178 1.00 3.18 H new ATOM 0 HG2 GLU B2707 19.217 -5.635 10.285 1.00 3.78 H new ATOM 0 HG3 GLU B2707 18.169 -5.150 11.602 1.00 3.78 H new ATOM 1314 N ILE B2708 13.867 -3.926 9.282 1.00 1.35 N ATOM 1315 CA ILE B2708 12.903 -3.423 8.301 1.00 1.26 C ATOM 1316 C ILE B2708 12.681 -1.918 8.458 1.00 0.89 C ATOM 1317 O ILE B2708 12.693 -1.395 9.574 1.00 1.03 O ATOM 1318 CB ILE B2708 11.548 -4.155 8.418 1.00 1.95 C ATOM 1319 CG1 ILE B2708 11.050 -4.142 9.868 1.00 2.57 C ATOM 1320 CG2 ILE B2708 11.674 -5.584 7.904 1.00 2.64 C ATOM 1321 CD1 ILE B2708 9.623 -4.621 10.027 1.00 3.48 C ATOM 0 H ILE B2708 13.453 -4.490 10.025 1.00 1.35 H new ATOM 0 HA ILE B2708 13.326 -3.617 7.315 1.00 1.26 H new ATOM 0 HB ILE B2708 10.816 -3.630 7.804 1.00 1.95 H new ATOM 0 HG12 ILE B2708 11.704 -4.770 10.473 1.00 2.57 H new ATOM 0 HG13 ILE B2708 11.129 -3.128 10.261 1.00 2.57 H new ATOM 0 HG21 ILE B2708 10.712 -6.089 7.992 1.00 2.64 H new ATOM 0 HG22 ILE B2708 11.981 -5.569 6.858 1.00 2.64 H new ATOM 0 HG23 ILE B2708 12.419 -6.118 8.493 1.00 2.64 H new ATOM 0 HD11 ILE B2708 9.342 -4.584 11.079 1.00 3.48 H new ATOM 0 HD12 ILE B2708 8.957 -3.979 9.450 1.00 3.48 H new ATOM 0 HD13 ILE B2708 9.541 -5.646 9.666 1.00 3.48 H new ATOM 1333 N GLU B2709 12.479 -1.226 7.337 1.00 0.95 N ATOM 1334 CA GLU B2709 12.264 0.218 7.364 1.00 0.87 C ATOM 1335 C GLU B2709 11.409 0.686 6.185 1.00 0.65 C ATOM 1336 O GLU B2709 11.693 0.367 5.029 1.00 0.80 O ATOM 1337 CB GLU B2709 13.612 0.949 7.360 1.00 1.45 C ATOM 1338 CG GLU B2709 13.499 2.462 7.492 1.00 2.04 C ATOM 1339 CD GLU B2709 12.834 2.892 8.787 1.00 2.40 C ATOM 1340 OE1 GLU B2709 13.525 2.932 9.825 1.00 2.74 O ATOM 1341 OE2 GLU B2709 11.621 3.195 8.759 1.00 2.91 O ATOM 0 H GLU B2709 12.460 -1.640 6.405 1.00 0.95 H new ATOM 0 HA GLU B2709 11.723 0.457 8.280 1.00 0.87 H new ATOM 0 HB2 GLU B2709 14.222 0.568 8.179 1.00 1.45 H new ATOM 0 HB3 GLU B2709 14.138 0.714 6.435 1.00 1.45 H new ATOM 0 HG2 GLU B2709 14.495 2.902 7.437 1.00 2.04 H new ATOM 0 HG3 GLU B2709 12.930 2.854 6.649 1.00 2.04 H new ATOM 1348 N VAL B2710 10.355 1.438 6.498 1.00 0.63 N ATOM 1349 CA VAL B2710 9.454 1.975 5.485 1.00 0.56 C ATOM 1350 C VAL B2710 8.963 3.372 5.884 1.00 0.52 C ATOM 1351 O VAL B2710 8.252 3.542 6.877 1.00 0.61 O ATOM 1352 CB VAL B2710 8.254 1.023 5.228 1.00 0.75 C ATOM 1353 CG1 VAL B2710 7.586 0.606 6.532 1.00 1.34 C ATOM 1354 CG2 VAL B2710 7.242 1.662 4.285 1.00 1.24 C ATOM 0 H VAL B2710 10.104 1.690 7.454 1.00 0.63 H new ATOM 0 HA VAL B2710 10.014 2.058 4.554 1.00 0.56 H new ATOM 0 HB VAL B2710 8.645 0.124 4.751 1.00 0.75 H new ATOM 0 HG11 VAL B2710 6.750 -0.060 6.316 1.00 1.34 H new ATOM 0 HG12 VAL B2710 8.309 0.088 7.162 1.00 1.34 H new ATOM 0 HG13 VAL B2710 7.220 1.491 7.052 1.00 1.34 H new ATOM 0 HG21 VAL B2710 6.412 0.974 4.122 1.00 1.24 H new ATOM 0 HG22 VAL B2710 6.867 2.586 4.726 1.00 1.24 H new ATOM 0 HG23 VAL B2710 7.722 1.884 3.332 1.00 1.24 H new ATOM 1364 N ILE B2711 9.360 4.375 5.104 1.00 0.51 N ATOM 1365 CA ILE B2711 8.974 5.759 5.371 1.00 0.51 C ATOM 1366 C ILE B2711 8.023 6.271 4.294 1.00 0.52 C ATOM 1367 O ILE B2711 8.387 6.347 3.121 1.00 0.66 O ATOM 1368 CB ILE B2711 10.213 6.682 5.438 1.00 0.66 C ATOM 1369 CG1 ILE B2711 11.231 6.128 6.440 1.00 0.98 C ATOM 1370 CG2 ILE B2711 9.806 8.101 5.816 1.00 0.83 C ATOM 1371 CD1 ILE B2711 12.577 6.820 6.391 1.00 1.65 C ATOM 0 H ILE B2711 9.950 4.255 4.281 1.00 0.51 H new ATOM 0 HA ILE B2711 8.469 5.776 6.337 1.00 0.51 H new ATOM 0 HB ILE B2711 10.677 6.713 4.452 1.00 0.66 H new ATOM 0 HG12 ILE B2711 10.823 6.219 7.446 1.00 0.98 H new ATOM 0 HG13 ILE B2711 11.373 5.064 6.249 1.00 0.98 H new ATOM 0 HG21 ILE B2711 10.692 8.735 5.858 1.00 0.83 H new ATOM 0 HG22 ILE B2711 9.115 8.492 5.070 1.00 0.83 H new ATOM 0 HG23 ILE B2711 9.320 8.092 6.791 1.00 0.83 H new ATOM 0 HD11 ILE B2711 13.243 6.373 7.129 1.00 1.65 H new ATOM 0 HD12 ILE B2711 13.008 6.707 5.396 1.00 1.65 H new ATOM 0 HD13 ILE B2711 12.450 7.880 6.613 1.00 1.65 H new ATOM 1383 N ILE B2712 6.801 6.615 4.697 1.00 0.60 N ATOM 1384 CA ILE B2712 5.801 7.109 3.758 1.00 0.76 C ATOM 1385 C ILE B2712 5.235 8.452 4.192 1.00 0.66 C ATOM 1386 O ILE B2712 4.866 8.647 5.351 1.00 0.92 O ATOM 1387 CB ILE B2712 4.634 6.108 3.570 1.00 1.23 C ATOM 1388 CG1 ILE B2712 3.770 6.018 4.833 1.00 0.99 C ATOM 1389 CG2 ILE B2712 5.164 4.732 3.200 1.00 1.76 C ATOM 1390 CD1 ILE B2712 2.303 5.783 4.546 1.00 1.49 C ATOM 0 H ILE B2712 6.482 6.560 5.664 1.00 0.60 H new ATOM 0 HA ILE B2712 6.319 7.229 2.806 1.00 0.76 H new ATOM 0 HB ILE B2712 4.010 6.476 2.756 1.00 1.23 H new ATOM 0 HG12 ILE B2712 4.143 5.210 5.462 1.00 0.99 H new ATOM 0 HG13 ILE B2712 3.877 6.941 5.403 1.00 0.99 H new ATOM 0 HG21 ILE B2712 4.329 4.043 3.072 1.00 1.76 H new ATOM 0 HG22 ILE B2712 5.727 4.797 2.269 1.00 1.76 H new ATOM 0 HG23 ILE B2712 5.817 4.368 3.993 1.00 1.76 H new ATOM 0 HD11 ILE B2712 1.752 5.730 5.485 1.00 1.49 H new ATOM 0 HD12 ILE B2712 1.914 6.604 3.943 1.00 1.49 H new ATOM 0 HD13 ILE B2712 2.184 4.846 4.003 1.00 1.49 H new ATOM 1402 N VAL B2713 5.191 9.377 3.240 1.00 0.48 N ATOM 1403 CA VAL B2713 4.647 10.687 3.449 1.00 0.53 C ATOM 1404 C VAL B2713 4.360 11.352 2.115 1.00 0.46 C ATOM 1405 O VAL B2713 5.266 11.656 1.338 1.00 0.73 O ATOM 1406 CB VAL B2713 5.558 11.627 4.282 1.00 0.90 C ATOM 1407 CG1 VAL B2713 5.172 11.606 5.754 1.00 1.67 C ATOM 1408 CG2 VAL B2713 7.031 11.279 4.100 1.00 0.89 C ATOM 0 H VAL B2713 5.540 9.223 2.294 1.00 0.48 H new ATOM 0 HA VAL B2713 3.733 10.534 4.022 1.00 0.53 H new ATOM 0 HB VAL B2713 5.408 12.641 3.910 1.00 0.90 H new ATOM 0 HG11 VAL B2713 5.828 12.274 6.312 1.00 1.67 H new ATOM 0 HG12 VAL B2713 4.139 11.936 5.864 1.00 1.67 H new ATOM 0 HG13 VAL B2713 5.272 10.592 6.142 1.00 1.67 H new ATOM 0 HG21 VAL B2713 7.641 11.956 4.697 1.00 0.89 H new ATOM 0 HG22 VAL B2713 7.205 10.253 4.424 1.00 0.89 H new ATOM 0 HG23 VAL B2713 7.301 11.378 3.049 1.00 0.89 H new ATOM 1418 N TRP B2714 3.081 11.554 1.861 1.00 0.61 N ATOM 1419 CA TRP B2714 2.622 12.209 0.646 1.00 0.78 C ATOM 1420 C TRP B2714 2.494 13.711 0.851 1.00 0.59 C ATOM 1421 O TRP B2714 2.610 14.209 1.971 1.00 0.64 O ATOM 1422 CB TRP B2714 1.269 11.647 0.216 1.00 1.23 C ATOM 1423 CG TRP B2714 0.895 12.013 -1.193 1.00 1.60 C ATOM 1424 CD1 TRP B2714 1.603 11.758 -2.331 1.00 2.29 C ATOM 1425 CD2 TRP B2714 -0.271 12.723 -1.604 1.00 1.43 C ATOM 1426 NE1 TRP B2714 0.943 12.262 -3.423 1.00 2.54 N ATOM 1427 CE2 TRP B2714 -0.211 12.860 -3.003 1.00 1.99 C ATOM 1428 CE3 TRP B2714 -1.362 13.253 -0.922 1.00 1.04 C ATOM 1429 CZ2 TRP B2714 -1.206 13.508 -3.730 1.00 2.02 C ATOM 1430 CZ3 TRP B2714 -2.345 13.891 -1.642 1.00 1.13 C ATOM 1431 CH2 TRP B2714 -2.265 14.017 -3.030 1.00 1.52 C ATOM 0 H TRP B2714 2.330 11.270 2.489 1.00 0.61 H new ATOM 0 HA TRP B2714 3.362 12.018 -0.132 1.00 0.78 H new ATOM 0 HB2 TRP B2714 1.288 10.561 0.309 1.00 1.23 H new ATOM 0 HB3 TRP B2714 0.499 12.012 0.896 1.00 1.23 H new ATOM 0 HD1 TRP B2714 2.547 11.235 -2.367 1.00 2.29 H new ATOM 0 HE1 TRP B2714 1.262 12.200 -4.390 1.00 2.54 H new ATOM 0 HE3 TRP B2714 -1.435 13.165 0.152 1.00 1.04 H new ATOM 0 HZ2 TRP B2714 -1.144 13.605 -4.804 1.00 2.02 H new ATOM 0 HZ3 TRP B2714 -3.197 14.303 -1.122 1.00 1.13 H new ATOM 0 HH2 TRP B2714 -3.055 14.527 -3.562 1.00 1.52 H new ATOM 1442 N GLU B2715 2.242 14.422 -0.240 1.00 0.74 N ATOM 1443 CA GLU B2715 2.039 15.852 -0.186 1.00 0.90 C ATOM 1444 C GLU B2715 0.896 16.247 -1.121 1.00 1.00 C ATOM 1445 O GLU B2715 0.873 15.839 -2.282 1.00 1.22 O ATOM 1446 CB GLU B2715 3.317 16.613 -0.556 1.00 1.30 C ATOM 1447 CG GLU B2715 4.234 16.896 0.625 1.00 1.65 C ATOM 1448 CD GLU B2715 3.669 17.939 1.570 1.00 2.28 C ATOM 1449 OE1 GLU B2715 3.919 19.142 1.344 1.00 2.78 O ATOM 1450 OE2 GLU B2715 2.978 17.554 2.537 1.00 2.86 O ATOM 0 H GLU B2715 2.174 14.023 -1.176 1.00 0.74 H new ATOM 0 HA GLU B2715 1.779 16.122 0.838 1.00 0.90 H new ATOM 0 HB2 GLU B2715 3.867 16.037 -1.300 1.00 1.30 H new ATOM 0 HB3 GLU B2715 3.042 17.558 -1.024 1.00 1.30 H new ATOM 0 HG2 GLU B2715 4.408 15.971 1.174 1.00 1.65 H new ATOM 0 HG3 GLU B2715 5.202 17.234 0.255 1.00 1.65 H new ATOM 1457 N LYS B2716 -0.043 17.045 -0.618 1.00 1.01 N ATOM 1458 CA LYS B2716 -1.190 17.477 -1.419 1.00 1.14 C ATOM 1459 C LYS B2716 -0.834 18.655 -2.319 1.00 1.54 C ATOM 1460 O LYS B2716 0.096 19.411 -2.037 1.00 1.82 O ATOM 1461 CB LYS B2716 -2.368 17.850 -0.516 1.00 1.14 C ATOM 1462 CG LYS B2716 -3.331 16.697 -0.267 1.00 1.00 C ATOM 1463 CD LYS B2716 -4.316 16.511 -1.416 1.00 1.13 C ATOM 1464 CE LYS B2716 -5.358 17.621 -1.442 1.00 1.91 C ATOM 1465 NZ LYS B2716 -6.479 17.311 -2.370 1.00 2.12 N ATOM 0 H LYS B2716 -0.034 17.405 0.336 1.00 1.01 H new ATOM 0 HA LYS B2716 -1.477 16.639 -2.054 1.00 1.14 H new ATOM 0 HB2 LYS B2716 -1.984 18.205 0.440 1.00 1.14 H new ATOM 0 HB3 LYS B2716 -2.914 18.678 -0.968 1.00 1.14 H new ATOM 0 HG2 LYS B2716 -2.764 15.777 -0.124 1.00 1.00 H new ATOM 0 HG3 LYS B2716 -3.882 16.879 0.656 1.00 1.00 H new ATOM 0 HD2 LYS B2716 -3.775 16.496 -2.362 1.00 1.13 H new ATOM 0 HD3 LYS B2716 -4.813 15.546 -1.318 1.00 1.13 H new ATOM 0 HE2 LYS B2716 -5.751 17.773 -0.437 1.00 1.91 H new ATOM 0 HE3 LYS B2716 -4.885 18.555 -1.744 1.00 1.91 H new ATOM 0 HZ1 LYS B2716 -7.166 18.092 -2.358 1.00 2.12 H new ATOM 0 HZ2 LYS B2716 -6.108 17.191 -3.334 1.00 2.12 H new ATOM 0 HZ3 LYS B2716 -6.947 16.433 -2.068 1.00 2.12 H new ATOM 1479 N LYS B2717 -1.588 18.801 -3.404 1.00 1.64 N ATOM 1480 CA LYS B2717 -1.362 19.880 -4.356 1.00 2.06 C ATOM 1481 C LYS B2717 -2.485 20.913 -4.270 1.00 2.07 C ATOM 1482 O LYS B2717 -3.609 20.601 -4.717 1.00 1.91 O ATOM 1483 CB LYS B2717 -1.272 19.316 -5.779 1.00 2.26 C ATOM 1484 CG LYS B2717 -0.122 19.879 -6.609 1.00 2.77 C ATOM 1485 CD LYS B2717 -0.313 21.357 -6.930 1.00 3.42 C ATOM 1486 CE LYS B2717 0.513 22.243 -6.009 1.00 4.08 C ATOM 1487 NZ LYS B2717 0.213 23.687 -6.212 1.00 4.44 N ATOM 1488 OXT LYS B2717 -2.230 22.022 -3.757 1.00 2.51 O ATOM 0 H LYS B2717 -2.363 18.183 -3.645 1.00 1.64 H new ATOM 0 HA LYS B2717 -0.420 20.370 -4.109 1.00 2.06 H new ATOM 0 HB2 LYS B2717 -1.166 18.233 -5.721 1.00 2.26 H new ATOM 0 HB3 LYS B2717 -2.210 19.517 -6.296 1.00 2.26 H new ATOM 0 HG2 LYS B2717 0.814 19.745 -6.067 1.00 2.77 H new ATOM 0 HG3 LYS B2717 -0.037 19.315 -7.538 1.00 2.77 H new ATOM 0 HD2 LYS B2717 -0.030 21.544 -7.966 1.00 3.42 H new ATOM 0 HD3 LYS B2717 -1.367 21.617 -6.836 1.00 3.42 H new ATOM 0 HE2 LYS B2717 0.315 21.973 -4.972 1.00 4.08 H new ATOM 0 HE3 LYS B2717 1.573 22.064 -6.188 1.00 4.08 H new ATOM 0 HZ1 LYS B2717 0.796 24.257 -5.566 1.00 4.44 H new ATOM 0 HZ2 LYS B2717 0.426 23.951 -7.195 1.00 4.44 H new ATOM 0 HZ3 LYS B2717 -0.793 23.863 -6.017 1.00 4.44 H new TER 1502 LYS B2717